diff --git a/src/ASPHERE/atom_vec_ellipsoid.cpp b/src/ASPHERE/atom_vec_ellipsoid.cpp
index 9a0b7d735fb078f24b209d67c87d7b2bbb76aa9b..4ddbef607cd5683333797a82f6c7f0deb7e7cf54 100755
--- a/src/ASPHERE/atom_vec_ellipsoid.cpp
+++ b/src/ASPHERE/atom_vec_ellipsoid.cpp
@@ -728,9 +728,7 @@ int AtomVecEllipsoid::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/ASPHERE/compute_erotate_asphere.cpp b/src/ASPHERE/compute_erotate_asphere.cpp
index 91e404486b836bec3a68b8d7434737e3b13502f6..b7c6302eba8ccffb1f324d79fdaf920e9b167e26 100644
--- a/src/ASPHERE/compute_erotate_asphere.cpp
+++ b/src/ASPHERE/compute_erotate_asphere.cpp
@@ -34,8 +34,7 @@ ComputeERotateAsphere(LAMMPS *lmp, int narg, char **arg) :
scalar_flag = 1;
extscalar = 1;
- inertia =
- memory->create_2d_double_array(atom->ntypes+1,3,"fix_temp_sphere:inertia");
+ memory->create(inertia,atom->ntypes+1,3,"fix_temp_sphere:inertia");
// error checks
@@ -52,7 +51,7 @@ ComputeERotateAsphere(LAMMPS *lmp, int narg, char **arg) :
ComputeERotateAsphere::~ComputeERotateAsphere()
{
- memory->destroy_2d_double_array(inertia);
+ memory->destroy(inertia);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/ASPHERE/compute_temp_asphere.cpp b/src/ASPHERE/compute_temp_asphere.cpp
index 8f4af98aba49112b5b6d3ffac2ba924b902cdd30..3a0ccbee4af4eb13af117ba482a72a02af7d6bb6 100755
--- a/src/ASPHERE/compute_temp_asphere.cpp
+++ b/src/ASPHERE/compute_temp_asphere.cpp
@@ -55,8 +55,7 @@ ComputeTempAsphere::ComputeTempAsphere(LAMMPS *lmp, int narg, char **arg) :
}
vector = new double[6];
- inertia =
- memory->create_2d_double_array(atom->ntypes+1,3,"fix_temp_sphere:inertia");
+ memory->create(inertia,atom->ntypes+1,3,"fix_temp_sphere:inertia");
// error checks
@@ -75,7 +74,7 @@ ComputeTempAsphere::~ComputeTempAsphere()
{
delete [] id_bias;
delete [] vector;
- memory->destroy_2d_double_array(inertia);
+ memory->destroy(inertia);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/ASPHERE/fix_nh_asphere.cpp b/src/ASPHERE/fix_nh_asphere.cpp
index 224d25f7e2ff7aeab54bd27085e5e01702052e48..ddf5d1b8db5a212e25359d5e4bdad87b46c0466b 100644
--- a/src/ASPHERE/fix_nh_asphere.cpp
+++ b/src/ASPHERE/fix_nh_asphere.cpp
@@ -33,8 +33,7 @@ using namespace LAMMPS_NS;
FixNHAsphere::FixNHAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNH(lmp, narg, arg)
{
- inertia =
- memory->create_2d_double_array(atom->ntypes+1,3,"fix_nvt_asphere:inertia");
+ memory->create(inertia,atom->ntypes+1,3,"fix_nvt_asphere:inertia");
if (!atom->quat_flag || !atom->angmom_flag || !atom->torque_flag ||
!atom->avec->shape_type)
@@ -49,7 +48,7 @@ FixNHAsphere::FixNHAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNHAsphere::~FixNHAsphere()
{
- memory->destroy_2d_double_array(inertia);
+ memory->destroy(inertia);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/ASPHERE/fix_nve_asphere.cpp b/src/ASPHERE/fix_nve_asphere.cpp
index 11152cf66bee84cd5333f46ec35f98ab0f13842e..4ddf05081d2580c53f844e3fa09e498210ca4c6a 100755
--- a/src/ASPHERE/fix_nve_asphere.cpp
+++ b/src/ASPHERE/fix_nve_asphere.cpp
@@ -34,8 +34,7 @@ using namespace LAMMPS_NS;
FixNVEAsphere::FixNVEAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNVE(lmp, narg, arg)
{
- inertia =
- memory->create_2d_double_array(atom->ntypes+1,3,"fix_nve_asphere:inertia");
+ memory->create(inertia,atom->ntypes+1,3,"fix_nve_asphere:inertia");
// error checks
@@ -52,7 +51,7 @@ FixNVEAsphere::FixNVEAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNVEAsphere::~FixNVEAsphere()
{
- memory->destroy_2d_double_array(inertia);
+ memory->destroy(inertia);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp
index ff8c835e1223eda6eb6c211962d2053150f8be0c..aa0d0c2a726b6d2aa3c5145bfc627d09e8b5def8 100755
--- a/src/ASPHERE/pair_gayberne.cpp
+++ b/src/ASPHERE/pair_gayberne.cpp
@@ -52,20 +52,20 @@ PairGayBerne::PairGayBerne(LAMMPS *lmp) : Pair(lmp)
PairGayBerne::~PairGayBerne()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_int_array(form);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(shape);
- memory->destroy_2d_double_array(well);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(form);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(shape);
+ memory->destroy(well);
+ memory->destroy(cut);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
delete [] lshape;
delete [] setwell;
}
@@ -227,24 +227,24 @@ void PairGayBerne::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- form = memory->create_2d_int_array(n+1,n+1,"pair:form");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- shape = memory->create_2d_double_array(n+1,3,"pair:shape");
- well = memory->create_2d_double_array(n+1,3,"pair:well");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(form,n+1,n+1,"pair:form");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(shape,n+1,3,"pair:shape");
+ memory->create(well,n+1,3,"pair:well");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
lshape = new double[n+1];
setwell = new int[n+1];
diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp
index 2f12d864d3b1e6a0dd1d6d664eafa0d8aa14daf1..4be78b42d659853a36ddb7615af9e10fb63ae415 100755
--- a/src/ASPHERE/pair_resquared.cpp
+++ b/src/ASPHERE/pair_resquared.cpp
@@ -58,20 +58,20 @@ PairRESquared::PairRESquared(LAMMPS *lmp) : Pair(lmp),
PairRESquared::~PairRESquared()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_int_array(form);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(shape2);
- memory->destroy_2d_double_array(well);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(form);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(shape2);
+ memory->destroy(well);
+ memory->destroy(cut);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
delete [] lshape;
delete [] setwell;
}
@@ -219,24 +219,24 @@ void PairRESquared::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- form = memory->create_2d_int_array(n+1,n+1,"pair:form");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- shape2 = memory->create_2d_double_array(n+1,3,"pair:shape2");
- well = memory->create_2d_double_array(n+1,3,"pair:well");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(form,n+1,n+1,"pair:form");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(shape2,n+1,3,"pair:shape2");
+ memory->create(well,n+1,3,"pair:well");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
lshape = new double[n+1];
setwell = new int[n+1];
diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp
index 77c66200d16e1aff1b4d1f8bc9ba1d382d6c2561..9b6f41893f74dacf2a4a3d1daa71066c6da5d5d9 100644
--- a/src/CLASS2/pair_lj_class2.cpp
+++ b/src/CLASS2/pair_lj_class2.cpp
@@ -36,17 +36,17 @@ PairLJClass2::PairLJClass2(LAMMPS *lmp) : Pair(lmp) {}
PairLJClass2::~PairLJClass2()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -143,21 +143,21 @@ void PairLJClass2::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp
index b6a16883c1079c3d605bc32dd80cd85ee0535341..8c8dc7e22880cadcadf305389296f26c26442545 100644
--- a/src/CLASS2/pair_lj_class2_coul_cut.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp
@@ -37,20 +37,20 @@ PairLJClass2CoulCut::PairLJClass2CoulCut(LAMMPS *lmp) : Pair(lmp) {}
PairLJClass2CoulCut::~PairLJClass2CoulCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -166,24 +166,24 @@ void PairLJClass2CoulCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"pair:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_coulsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"pair:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"pair:cut_coulsq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp
index 1344dfb7e7bdbb15abf1efcca2674a541c7e631e..f714d1cc851b006f0288b2e9dfc9b51466547233 100644
--- a/src/CLASS2/pair_lj_class2_coul_long.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_long.cpp
@@ -47,18 +47,18 @@ PairLJClass2CoulLong::PairLJClass2CoulLong(LAMMPS *lmp) : Pair(lmp) {}
PairLJClass2CoulLong::~PairLJClass2CoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -183,22 +183,22 @@ void PairLJClass2CoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/COLLOID/atom_vec_colloid.cpp b/src/COLLOID/atom_vec_colloid.cpp
index 001a8c86378868d140ca8e8b6951e16e0c374309..2f71e334721a71042203f320669e062853f7dc59 100644
--- a/src/COLLOID/atom_vec_colloid.cpp
+++ b/src/COLLOID/atom_vec_colloid.cpp
@@ -608,9 +608,7 @@ int AtomVecColloid::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp
index 7af1410ed84a9715da72146d583cd6f24df08c3e..8bd67abfacf4ceb32eba0a585520b050561ba820 100644
--- a/src/COLLOID/pair_colloid.cpp
+++ b/src/COLLOID/pair_colloid.cpp
@@ -43,25 +43,25 @@ PairColloid::PairColloid(LAMMPS *lmp) : Pair(lmp) {}
PairColloid::~PairColloid()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_int_array(form);
- memory->destroy_2d_double_array(a12);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(d1);
- memory->destroy_2d_double_array(d2);
- memory->destroy_2d_double_array(a1);
- memory->destroy_2d_double_array(a2);
- memory->destroy_2d_double_array(diameter);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(offset);
- memory->destroy_2d_double_array(sigma3);
- memory->destroy_2d_double_array(sigma6);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(form);
+ memory->destroy(a12);
+ memory->destroy(sigma);
+ memory->destroy(d1);
+ memory->destroy(d2);
+ memory->destroy(a1);
+ memory->destroy(a2);
+ memory->destroy(diameter);
+ memory->destroy(cut);
+ memory->destroy(offset);
+ memory->destroy(sigma3);
+ memory->destroy(sigma6);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
}
}
@@ -218,29 +218,29 @@ void PairColloid::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- form = memory->create_2d_int_array(n+1,n+1,"pair:form");
- a12 = memory->create_2d_double_array(n+1,n+1,"pair:a12");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- d1 = memory->create_2d_double_array(n+1,n+1,"pair:d1");
- d2 = memory->create_2d_double_array(n+1,n+1,"pair:d2");
- a1 = memory->create_2d_double_array(n+1,n+1,"pair:a1");
- a2 = memory->create_2d_double_array(n+1,n+1,"pair:a2");
- diameter = memory->create_2d_double_array(n+1,n+1,"pair:diameter");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
- sigma3 = memory->create_2d_double_array(n+1,n+1,"pair:sigma3");
- sigma6 = memory->create_2d_double_array(n+1,n+1,"pair:sigma6");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(form,n+1,n+1,"pair:form");
+ memory->create(a12,n+1,n+1,"pair:a12");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(d1,n+1,n+1,"pair:d1");
+ memory->create(d2,n+1,n+1,"pair:d2");
+ memory->create(a1,n+1,n+1,"pair:a1");
+ memory->create(a2,n+1,n+1,"pair:a2");
+ memory->create(diameter,n+1,n+1,"pair:diameter");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(offset,n+1,n+1,"pair:offset");
+ memory->create(sigma3,n+1,n+1,"pair:sigma3");
+ memory->create(sigma6,n+1,n+1,"pair:sigma6");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
}
/* ----------------------------------------------------------------------
diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp
index b708794ded26fae9d250c761904a2618dc829d05..43ec4031ecbe791308466262e0cf5272c6e980dc 100644
--- a/src/COLLOID/pair_lubricate.cpp
+++ b/src/COLLOID/pair_lubricate.cpp
@@ -51,11 +51,11 @@ PairLubricate::PairLubricate(LAMMPS *lmp) : Pair(lmp)
PairLubricate::~PairLubricate()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(cut_inner);
+ memory->destroy(cut);
+ memory->destroy(cut_inner);
}
delete random;
@@ -302,15 +302,15 @@ void PairLubricate::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- cut_inner = memory->create_2d_double_array(n+1,n+1,"pair:cut_inner");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(cut_inner,n+1,n+1,"pair:cut_inner");
}
/* ----------------------------------------------------------------------
diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp
index 18985e8bb4f4dd026d958ce8c85a94eb5bfd4bbb..d033175301261f44107808f46a4f895a1ee7e83d 100644
--- a/src/DIPOLE/atom_vec_dipole.cpp
+++ b/src/DIPOLE/atom_vec_dipole.cpp
@@ -716,9 +716,7 @@ int AtomVecDipole::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/DIPOLE/pair_dipole_cut.cpp b/src/DIPOLE/pair_dipole_cut.cpp
index bb8995e84814ae25ee3f48392f6db46cadac2e66..20fc4076d07ce81eddc5ec57e76d56c1a19c46a2 100644
--- a/src/DIPOLE/pair_dipole_cut.cpp
+++ b/src/DIPOLE/pair_dipole_cut.cpp
@@ -39,20 +39,20 @@ PairDipoleCut::PairDipoleCut(LAMMPS *lmp) : Pair(lmp)
PairDipoleCut::~PairDipoleCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -273,24 +273,24 @@ void PairDipoleCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"pair:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_coulsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"pair:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"pair:cut_coulsq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/DSMC/pair_dsmc.cpp b/src/DSMC/pair_dsmc.cpp
index 090f2af79621be061094f3b6b0ccb1ffd6a5c872..b04dd8f6d7432ce8e8d12593ba56296e66367592 100644
--- a/src/DSMC/pair_dsmc.cpp
+++ b/src/DSMC/pair_dsmc.cpp
@@ -52,14 +52,14 @@ PairDSMC::PairDSMC(LAMMPS *lmp) : Pair(lmp)
PairDSMC::~PairDSMC()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(V_sigma_max);
- memory->destroy_2d_int_array(particle_list);
- memory->destroy_2d_int_array(first);
- memory->destroy_2d_int_array(number);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(sigma);
+ memory->destroy(cut);
+ memory->destroy(V_sigma_max);
+ memory->destroy(particle_list);
+ memory->destroy(first);
+ memory->destroy(number);
}
delete [] next_particle;
@@ -113,9 +113,8 @@ void PairDSMC::compute(int eflag, int vflag)
number_of_A = number[itype][icell];
if (number_of_A > max_particle_list) {
max_particle_list = number_of_A;
- particle_list = memory->grow_2d_int_array(particle_list,atom->ntypes+1,
- max_particle_list,
- "pair:particle_list");
+ memory->grow(particle_list,atom->ntypes+1,max_particle_list,
+ "pair:particle_list");
}
int m = first[itype][icell];
@@ -191,16 +190,16 @@ void PairDSMC::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- V_sigma_max = memory->create_2d_double_array(n+1,n+1,"pair:V_sigma_max");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(V_sigma_max,n+1,n+1,"pair:V_sigma_max");
}
/* ----------------------------------------------------------------------
@@ -297,12 +296,9 @@ void PairDSMC::init_style()
total_ncells = ncellsx*ncellsy*ncellsz;
vol = cellx*celly*cellz;
- particle_list = memory->create_2d_int_array(atom->ntypes+1,0,
- "pair:particle_list");
- first = memory->create_2d_int_array(atom->ntypes+1,total_ncells,
- "pair:first");
- number = memory->create_2d_int_array(atom->ntypes+1,total_ncells,
- "pair:number");
+ memory->create(particle_list,atom->ntypes+1,0,"pair:particle_list");
+ memory->create(first,atom->ntypes+1,total_ncells,"pair:first");
+ memory->create(number,atom->ntypes+1,total_ncells,"pair:number");
for (int i = 1; i <= atom->ntypes; i++)
for (int j = 1; j <= atom->ntypes; j++)
diff --git a/src/GRANULAR/atom_vec_granular.cpp b/src/GRANULAR/atom_vec_granular.cpp
index 652ea57bf70607ff04b3e09276975b84569af04a..e934796f61c7678410bdbec2a217e7ca9ee06472 100644
--- a/src/GRANULAR/atom_vec_granular.cpp
+++ b/src/GRANULAR/atom_vec_granular.cpp
@@ -837,9 +837,7 @@ int AtomVecGranular::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp
index 0f54bbf79b251bf1139a2bcb71b3ed6c9899d4a3..73b9d4991483cc29db1440d6046954dbe5217101 100644
--- a/src/GRANULAR/fix_pour.cpp
+++ b/src/GRANULAR/fix_pour.cpp
@@ -331,10 +331,9 @@ void FixPour::pre_exchange()
// xmine is for my atoms
// xnear is for atoms from all procs + atoms to be inserted
- double **xmine =
- memory->create_2d_double_array(ncount,4,"fix_pour:xmine");
- double **xnear =
- memory->create_2d_double_array(nprevious+nnew,4,"fix_pour:xnear");
+ double **xmine,**xnear;
+ memory->create(xmine,ncount,4,"fix_pour:xmine");
+ memory->create(xnear,nprevious+nnew,4,"fix_pour:xnear");
int nnear = nprevious;
// setup for allgatherv
@@ -503,8 +502,8 @@ void FixPour::pre_exchange()
// free local memory
- memory->destroy_2d_double_array(xmine);
- memory->destroy_2d_double_array(xnear);
+ memory->destroy(xmine);
+ memory->destroy(xnear);
// next timestep to insert
diff --git a/src/GRANULAR/fix_wall_gran.cpp b/src/GRANULAR/fix_wall_gran.cpp
index 5331ce1f6f3068ae201279e57bb05197503c625d..4b60f96714b178d802a1b27bed05f301faf7800b 100644
--- a/src/GRANULAR/fix_wall_gran.cpp
+++ b/src/GRANULAR/fix_wall_gran.cpp
@@ -195,7 +195,7 @@ FixWallGran::~FixWallGran()
// delete locally stored arrays
- memory->destroy_2d_double_array(shear);
+ memory->destroy(shear);
}
/* ---------------------------------------------------------------------- */
@@ -678,7 +678,7 @@ double FixWallGran::memory_usage()
void FixWallGran::grow_arrays(int nmax)
{
- shear = memory->grow_2d_double_array(shear,nmax,3,"fix_wall_gran:shear");
+ memory->grow(shear,nmax,3,"fix_wall_gran:shear");
}
/* ----------------------------------------------------------------------
diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp
index 3127621fef8ee297ed52a0cb07f018011a32e19f..fbf7043098866306caec57a5ea7397b9ea74342b 100644
--- a/src/GRANULAR/pair_gran_hooke_history.cpp
+++ b/src/GRANULAR/pair_gran_hooke_history.cpp
@@ -58,8 +58,8 @@ PairGranHookeHistory::~PairGranHookeHistory()
if (fix_history) modify->delete_fix("SHEAR_HISTORY");
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] onerad_dynamic;
delete [] onerad_frozen;
@@ -279,12 +279,12 @@ void PairGranHookeHistory::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
onerad_dynamic = new double[n+1];
onerad_frozen = new double[n+1];
diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index 24719646dc8259ea849cc3dafbe54a627327ce40..ad7a5923ecfc124e6c5f191befe2fcafa4520ab8 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -65,7 +65,7 @@ Ewald::Ewald(LAMMPS *lmp, int narg, char **arg) : KSpace(lmp, narg, arg)
Ewald::~Ewald()
{
deallocate();
- memory->destroy_2d_double_array(ek);
+ memory->destroy(ek);
memory->destroy3d_offset(cs,-kmax_created);
memory->destroy3d_offset(sn,-kmax_created);
}
@@ -191,11 +191,11 @@ void Ewald::setup()
deallocate();
allocate();
- memory->destroy_2d_double_array(ek);
+ memory->destroy(ek);
memory->destroy3d_offset(cs,-kmax_created);
memory->destroy3d_offset(sn,-kmax_created);
nmax = atom->nmax;
- ek = memory->create_2d_double_array(nmax,3,"ewald:ek");
+ memory->create(ek,nmax,3,"ewald:ek");
memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald:cs");
memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald:sn");
kmax_created = kmax;
@@ -220,11 +220,11 @@ void Ewald::compute(int eflag, int vflag)
// extend size of per-atom arrays if necessary
if (atom->nlocal > nmax) {
- memory->destroy_2d_double_array(ek);
+ memory->destroy(ek);
memory->destroy3d_offset(cs,-kmax_created);
memory->destroy3d_offset(sn,-kmax_created);
nmax = atom->nmax;
- ek = memory->create_2d_double_array(nmax,3,"ewald:ek");
+ memory->create(ek,nmax,3,"ewald:ek");
memory->create3d_offset(cs,-kmax,kmax,3,nmax,"ewald:cs");
memory->create3d_offset(sn,-kmax,kmax,3,nmax,"ewald:sn");
kmax_created = kmax;
@@ -766,8 +766,8 @@ void Ewald::allocate()
kzvecs = new int[kmax3d];
ug = new double[kmax3d];
- eg = memory->create_2d_double_array(kmax3d,3,"ewald:eg");
- vg = memory->create_2d_double_array(kmax3d,6,"ewald:vg");
+ memory->create(eg,kmax3d,3,"ewald:eg");
+ memory->create(vg,kmax3d,6,"ewald:vg");
sfacrl = new double[kmax3d];
sfacim = new double[kmax3d];
@@ -786,8 +786,8 @@ void Ewald::deallocate()
delete [] kzvecs;
delete [] ug;
- memory->destroy_2d_double_array(eg);
- memory->destroy_2d_double_array(vg);
+ memory->destroy(eg);
+ memory->destroy(vg);
delete [] sfacrl;
delete [] sfacim;
diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp
index b1505a3af65ce60543112a4a1096021b0dd4c1c7..493071bcbe794c815de91a8038d1709052b37916 100644
--- a/src/KSPACE/pair_born_coul_long.cpp
+++ b/src/KSPACE/pair_born_coul_long.cpp
@@ -51,21 +51,21 @@ PairBornCoulLong::PairBornCoulLong(LAMMPS *lmp) : Pair(lmp) {}
PairBornCoulLong::~PairBornCoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(rho);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(c);
- memory->destroy_2d_double_array(d);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(born1);
- memory->destroy_2d_double_array(born2);
- memory->destroy_2d_double_array(born3);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(a);
+ memory->destroy(rho);
+ memory->destroy(sigma);
+ memory->destroy(c);
+ memory->destroy(d);
+ memory->destroy(rhoinv);
+ memory->destroy(born1);
+ memory->destroy(born2);
+ memory->destroy(born3);
+ memory->destroy(offset);
}
}
@@ -191,25 +191,25 @@ void PairBornCoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- rho = memory->create_2d_double_array(n+1,n+1,"pair:rho");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- c = memory->create_2d_double_array(n+1,n+1,"pair:c");
- d = memory->create_2d_double_array(n+1,n+1,"pair:d");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- born1 = memory->create_2d_double_array(n+1,n+1,"pair:born1");
- born2 = memory->create_2d_double_array(n+1,n+1,"pair:born2");
- born3 = memory->create_2d_double_array(n+1,n+1,"pair:born3");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(rho,n+1,n+1,"pair:rho");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(c,n+1,n+1,"pair:c");
+ memory->create(d,n+1,n+1,"pair:d");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(born1,n+1,n+1,"pair:born1");
+ memory->create(born2,n+1,n+1,"pair:born2");
+ memory->create(born3,n+1,n+1,"pair:born3");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp
index 800900cdc20588e91e4c58f2b145c877871b4670..1cf9d0a49d1c626fed218e8e585fb48ba32038ac 100644
--- a/src/KSPACE/pair_buck_coul_long.cpp
+++ b/src/KSPACE/pair_buck_coul_long.cpp
@@ -47,18 +47,18 @@ PairBuckCoulLong::PairBuckCoulLong(LAMMPS *lmp) : Pair(lmp) {}
PairBuckCoulLong::~PairBuckCoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(rho);
- memory->destroy_2d_double_array(c);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(buck1);
- memory->destroy_2d_double_array(buck2);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(a);
+ memory->destroy(rho);
+ memory->destroy(c);
+ memory->destroy(rhoinv);
+ memory->destroy(buck1);
+ memory->destroy(buck2);
+ memory->destroy(offset);
}
}
@@ -183,22 +183,22 @@ void PairBuckCoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- rho = memory->create_2d_double_array(n+1,n+1,"pair:rho");
- c = memory->create_2d_double_array(n+1,n+1,"pair:c");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- buck1 = memory->create_2d_double_array(n+1,n+1,"pair:buck1");
- buck2 = memory->create_2d_double_array(n+1,n+1,"pair:buck2");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(rho,n+1,n+1,"pair:rho");
+ memory->create(c,n+1,n+1,"pair:c");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(buck1,n+1,n+1,"pair:buck1");
+ memory->create(buck2,n+1,n+1,"pair:buck2");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp
index 65ef65d07d3c79e796f934d974183a6d3a679c7d..b49d44a0d0b4a1eb48ff978224bf2c51e6f8cc51 100644
--- a/src/KSPACE/pair_coul_long.cpp
+++ b/src/KSPACE/pair_coul_long.cpp
@@ -57,10 +57,10 @@ PairCoulLong::PairCoulLong(LAMMPS *lmp) : Pair(lmp)
PairCoulLong::~PairCoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(scale);
+ memory->destroy(scale);
}
if (ftable) free_tables();
}
@@ -188,14 +188,14 @@ void PairCoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- scale = memory->create_2d_double_array(n+1,n+1,"pair:scale");
+ memory->create(scale,n+1,n+1,"pair:scale");
}
/* ----------------------------------------------------------------------
diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp
index 66f84440f2c2b9b9ff0c4e07cf571bab46aa7af4..d8b2b1c487feb7103d1d12335fcdf33d64324caa 100644
--- a/src/KSPACE/pair_lj_charmm_coul_long.cpp
+++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp
@@ -63,21 +63,21 @@ PairLJCharmmCoulLong::PairLJCharmmCoulLong(LAMMPS *lmp) : Pair(lmp)
PairLJCharmmCoulLong::~PairLJCharmmCoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(eps14);
- memory->destroy_2d_double_array(sigma14);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(lj14_1);
- memory->destroy_2d_double_array(lj14_2);
- memory->destroy_2d_double_array(lj14_3);
- memory->destroy_2d_double_array(lj14_4);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(eps14);
+ memory->destroy(sigma14);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(lj14_1);
+ memory->destroy(lj14_2);
+ memory->destroy(lj14_3);
+ memory->destroy(lj14_4);
}
if (ftable) free_tables();
}
@@ -647,25 +647,25 @@ void PairLJCharmmCoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- eps14 = memory->create_2d_double_array(n+1,n+1,"pair:eps14");
- sigma14 = memory->create_2d_double_array(n+1,n+1,"pair:sigma14");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- lj14_1 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_1");
- lj14_2 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_2");
- lj14_3 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_3");
- lj14_4 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_4");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(eps14,n+1,n+1,"pair:eps14");
+ memory->create(sigma14,n+1,n+1,"pair:sigma14");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(lj14_1,n+1,n+1,"pair:lj14_1");
+ memory->create(lj14_2,n+1,n+1,"pair:lj14_2");
+ memory->create(lj14_3,n+1,n+1,"pair:lj14_3");
+ memory->create(lj14_4,n+1,n+1,"pair:lj14_4");
}
/* ----------------------------------------------------------------------
diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp
index 74056b96c5c469bc5778464d78e5963e33d4ed73..cff7bf5df8b2311d660b01bd7bde9d62f4315728 100644
--- a/src/KSPACE/pair_lj_cut_coul_long.cpp
+++ b/src/KSPACE/pair_lj_cut_coul_long.cpp
@@ -59,18 +59,18 @@ PairLJCutCoulLong::PairLJCutCoulLong(LAMMPS *lmp) : Pair(lmp)
PairLJCutCoulLong::~PairLJCutCoulLong()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
if (ftable) free_tables();
}
@@ -589,22 +589,22 @@ void PairLJCutCoulLong::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 2306528fed152de1e57ce0b0e2e47430144e175f..ab211f3d3a7064593c2145c6d3dfd5502c88976b 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -90,7 +90,7 @@ PPPM::~PPPM()
{
delete [] factors;
deallocate();
- memory->destroy_2d_int_array(part2grid);
+ memory->destroy(part2grid);
}
/* ----------------------------------------------------------------------
@@ -659,9 +659,9 @@ void PPPM::compute(int eflag, int vflag)
// extend size of per-atom arrays if necessary
if (atom->nlocal > nmax) {
- memory->destroy_2d_int_array(part2grid);
+ memory->destroy(part2grid);
nmax = atom->nmax;
- part2grid = memory->create_2d_int_array(nmax,3,"pppm:part2grid");
+ memory->create(part2grid,nmax,3,"pppm:part2grid");
}
energy = 0.0;
@@ -745,7 +745,7 @@ void PPPM::allocate()
(double *) memory->smalloc(nfft_both*sizeof(double),"pppm:greensfn");
work1 = (double *) memory->smalloc(2*nfft_both*sizeof(double),"pppm:work1");
work2 = (double *) memory->smalloc(2*nfft_both*sizeof(double),"pppm:work2");
- vg = memory->create_2d_double_array(nfft_both,6,"pppm:vg");
+ memory->create(vg,nfft_both,6,"pppm:vg");
memory->create1d_offset(fkx,nxlo_fft,nxhi_fft,"pppm:fkx");
memory->create1d_offset(fky,nylo_fft,nyhi_fft,"pppm:fky");
@@ -757,9 +757,8 @@ void PPPM::allocate()
// summation coeffs
gf_b = new double[order];
- rho1d = memory->create_2d_double_array(3,-order/2,order/2,"pppm:rho1d");
- rho_coeff = memory->create_2d_double_array(order,(1-order)/2,order/2,
- "pppm:rho_coeff");
+ memory->create2d_offset(rho1d,3,-order/2,order/2,"pppm:rho1d");
+ memory->create2d_offset(rho_coeff,order,(1-order)/2,order/2,"pppm:rho_coeff");
// create 2 FFTs and a Remap
// 1st FFT keeps data in FFT decompostion
@@ -799,7 +798,7 @@ void PPPM::deallocate()
memory->sfree(greensfn);
memory->sfree(work1);
memory->sfree(work2);
- memory->destroy_2d_double_array(vg);
+ memory->destroy(vg);
memory->destroy1d_offset(fkx,nxlo_fft);
memory->destroy1d_offset(fky,nylo_fft);
@@ -809,8 +808,8 @@ void PPPM::deallocate()
memory->sfree(buf2);
delete [] gf_b;
- memory->destroy_2d_double_array(rho1d,-order/2);
- memory->destroy_2d_double_array(rho_coeff,(1-order)/2);
+ memory->destroy2d_offset(rho1d,-order/2);
+ memory->destroy2d_offset(rho_coeff,(1-order)/2);
delete fft1;
delete fft2;
@@ -826,7 +825,8 @@ void PPPM::set_grid()
// see JCP 109, pg 7698 for derivation of coefficients
// higher order coefficients may be computed if needed
- double **acons = memory->create_2d_double_array(8,7,"pppm:acons");
+ double **acons;
+ memory->create(acons,8,7,"pppm:acons");
acons[1][0] = 2.0 / 3.0;
acons[2][0] = 1.0 / 50.0;
@@ -964,7 +964,7 @@ void PPPM::set_grid()
// free local memory
- memory->destroy_2d_double_array(acons);
+ memory->destroy(acons);
// print info
@@ -1803,7 +1803,8 @@ void PPPM::compute_rho_coeff()
int j,k,l,m;
double s;
- double **a = memory->create_2d_double_array(order,-order,order,"pppm:a");
+ double **a;
+ memory->create2d_offset(a,order,-order,order,"pppm:a");
for (k = -order; k <= order; k++)
for (l = 0; l < order; l++)
@@ -1829,7 +1830,7 @@ void PPPM::compute_rho_coeff()
m++;
}
- memory->destroy_2d_double_array(a,-order);
+ memory->destroy2d_offset(a,-order);
}
/* ----------------------------------------------------------------------
diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp
index 28b2721212d37cdc4801b9ebdb708dc666fb5782..16fa7e80c15d6add0e9240bddfbc5b642e35753d 100644
--- a/src/MANYBODY/pair_airebo.cpp
+++ b/src/MANYBODY/pair_airebo.cpp
@@ -73,15 +73,15 @@ PairAIREBO::~PairAIREBO()
memory->sfree(nH);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(cutghost);
-
- memory->destroy_2d_double_array(cutljsq);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(cutghost);
+
+ memory->destroy(cutljsq);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
delete [] map;
}
}
@@ -110,21 +110,21 @@ void PairAIREBO::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
- cutghost = memory->create_2d_double_array(n+1,n+1,"pair:cutghost");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+ memory->create(cutghost,n+1,n+1,"pair:cutghost");
// only sized by C,H = 2 types
- cutljsq = memory->create_2d_double_array(2,2,"pair:cutljsq");
- lj1 = memory->create_2d_double_array(2,2,"pair:lj1");
- lj2 = memory->create_2d_double_array(2,2,"pair:lj2");
- lj3 = memory->create_2d_double_array(2,2,"pair:lj3");
- lj4 = memory->create_2d_double_array(2,2,"pair:lj4");
+ memory->create(cutljsq,2,2,"pair:cutljsq");
+ memory->create(lj1,2,2,"pair:lj1");
+ memory->create(lj2,2,2,"pair:lj2");
+ memory->create(lj3,2,2,"pair:lj3");
+ memory->create(lj4,2,2,"pair:lj4");
map = new int[n+1];
}
diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp
index 7d462af082d3058b170f37df6e2fa6cd4b838eb9..c1ed5383805e56d5a5538a46d45354f7a343c1bf 100644
--- a/src/MANYBODY/pair_comb.cpp
+++ b/src/MANYBODY/pair_comb.cpp
@@ -88,17 +88,17 @@ PairComb::~PairComb()
memory->sfree(params);
memory->destroy(elem2param);
- memory->destroy_2d_int_array(intype);
- memory->destroy_2d_double_array(fafb);
- memory->destroy_2d_double_array(dfafb);
- memory->destroy_2d_double_array(ddfafb);
- memory->destroy_2d_double_array(phin);
- memory->destroy_2d_double_array(dphin);
- memory->destroy_2d_double_array(erpaw);
+ memory->destroy(intype);
+ memory->destroy(fafb);
+ memory->destroy(dfafb);
+ memory->destroy(ddfafb);
+ memory->destroy(phin);
+ memory->destroy(dphin);
+ memory->destroy(erpaw);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
delete [] esm;
}
@@ -401,8 +401,8 @@ void PairComb::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
esm = new double[n];
@@ -1351,23 +1351,23 @@ void PairComb::sm_table()
nntypes = int((n+1)*n/2); // interaction types
ncoul = int((rc-drin)/dra)+1;
- memory->destroy_2d_int_array(intype);
- memory->destroy_2d_double_array(fafb);
- memory->destroy_2d_double_array(dfafb);
- memory->destroy_2d_double_array(ddfafb);
- memory->destroy_2d_double_array(phin);
- memory->destroy_2d_double_array(dphin);
- memory->destroy_2d_double_array(erpaw);
+ memory->destroy(intype);
+ memory->destroy(fafb);
+ memory->destroy(dfafb);
+ memory->destroy(ddfafb);
+ memory->destroy(phin);
+ memory->destroy(dphin);
+ memory->destroy(erpaw);
// allocate arrays
- intype = memory->create_2d_int_array(n,n,"pair:intype");
- fafb = memory->create_2d_double_array(ncoul,nntypes,"pair:fafb");
- dfafb = memory->create_2d_double_array(ncoul,nntypes,"pair:dfafb");
- ddfafb = memory->create_2d_double_array(ncoul,nntypes,"pair:ddfafb");
- phin = memory->create_2d_double_array(ncoul,nntypes,"pair:phin");
- dphin = memory->create_2d_double_array(ncoul,nntypes,"pair:dphin");
- erpaw = memory->create_2d_double_array(25000,2,"pair:erpaw");
+ memory->create(intype,n,n,"pair:intype");
+ memory->create(fafb,ncoul,nntypes,"pair:fafb");
+ memory->create(dfafb,ncoul,nntypes,"pair:dfafb");
+ memory->create(ddfafb,ncoul,nntypes,"pair:ddfafb");
+ memory->create(phin,ncoul,nntypes,"pair:phin");
+ memory->create(dphin,ncoul,nntypes,"pair:dphin");
+ memory->create(erpaw,25000,2,"pair:erpaw");
// set interaction number: 0-0=0, 1-1=1, 0-1=1-0=2
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index 02c33f6b5ad4d44e33edd66fc188cd27638a3484..464d4249768cf7a4e4914b235bc3b0c8406f1fb8 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -73,12 +73,12 @@ PairEAM::~PairEAM()
memory->sfree(fp);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
delete [] type2frho;
- memory->destroy_2d_int_array(type2rhor);
- memory->destroy_2d_int_array(type2z2r);
+ memory->destroy(type2rhor);
+ memory->destroy(type2z2r);
}
if (funcfl) {
@@ -95,8 +95,8 @@ PairEAM::~PairEAM()
for (int i = 0; i < setfl->nelements; i++) delete [] setfl->elements[i];
delete [] setfl->elements;
delete [] setfl->mass;
- memory->destroy_2d_double_array(setfl->frho);
- memory->destroy_2d_double_array(setfl->rhor);
+ memory->destroy(setfl->frho);
+ memory->destroy(setfl->rhor);
memory->destroy(setfl->z2r);
delete setfl;
}
@@ -105,15 +105,15 @@ PairEAM::~PairEAM()
for (int i = 0; i < fs->nelements; i++) delete [] fs->elements[i];
delete [] fs->elements;
delete [] fs->mass;
- memory->destroy_2d_double_array(fs->frho);
+ memory->destroy(fs->frho);
memory->destroy(fs->rhor);
memory->destroy(fs->z2r);
delete fs;
}
- memory->destroy_2d_double_array(frho);
- memory->destroy_2d_double_array(rhor);
- memory->destroy_2d_double_array(z2r);
+ memory->destroy(frho);
+ memory->destroy(rhor);
+ memory->destroy(z2r);
memory->destroy(frho_spline);
memory->destroy(rhor_spline);
@@ -310,19 +310,19 @@ void PairEAM::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
for (int i = 1; i <= n; i++) map[i] = -1;
type2frho = new int[n+1];
- type2rhor = memory->create_2d_int_array(n+1,n+1,"pair:type2rhor");
- type2z2r = memory->create_2d_int_array(n+1,n+1,"pair:type2z2r");
+ memory->create(type2rhor,n+1,n+1,"pair:type2rhor");
+ memory->create(type2z2r,n+1,n+1,"pair:type2z2r");
}
/* ----------------------------------------------------------------------
@@ -523,8 +523,8 @@ void PairEAM::file2array()
// nfrho = # of funcfl files + 1 for zero array
nfrho = nfuncfl + 1;
- memory->destroy_2d_double_array(frho);
- frho = (double **) memory->create_2d_double_array(nfrho,nrho+1,"pair:frho");
+ memory->destroy(frho);
+ memory->create(frho,nfrho,nrho+1,"pair:frho");
// interpolate each file's frho to a single grid and cutoff
@@ -572,8 +572,8 @@ void PairEAM::file2array()
// nrhor = # of funcfl files
nrhor = nfuncfl;
- memory->destroy_2d_double_array(rhor);
- rhor = (double **) memory->create_2d_double_array(nrhor,nr+1,"pair:rhor");
+ memory->destroy(rhor);
+ memory->create(rhor,nrhor,nr+1,"pair:rhor");
// interpolate each file's rhor to a single grid and cutoff
@@ -614,8 +614,8 @@ void PairEAM::file2array()
// nz2r = N*(N+1)/2 where N = # of funcfl files
nz2r = nfuncfl*(nfuncfl+1)/2;
- memory->destroy_2d_double_array(z2r);
- z2r = (double **) memory->create_2d_double_array(nz2r,nr+1,"pair:z2r");
+ memory->destroy(z2r);
+ memory->create(z2r,nz2r,nr+1,"pair:z2r");
// create a z2r array for each file against other files, only for I >= J
// interpolate zri and zrj to a single grid and cutoff
diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp
index ab45bccb2d66123fffde1e5cc2e1637a26895c0d..894ab079220ef9e8458849eac7f7e594a7949c4b 100644
--- a/src/MANYBODY/pair_eam_alloy.cpp
+++ b/src/MANYBODY/pair_eam_alloy.cpp
@@ -60,8 +60,8 @@ void PairEAMAlloy::coeff(int narg, char **arg)
for (i = 0; i < setfl->nelements; i++) delete [] setfl->elements[i];
delete [] setfl->elements;
delete [] setfl->mass;
- memory->destroy_2d_double_array(setfl->frho);
- memory->destroy_2d_double_array(setfl->rhor);
+ memory->destroy(setfl->frho);
+ memory->destroy(setfl->rhor);
memory->destroy(setfl->z2r);
delete setfl;
}
@@ -174,12 +174,10 @@ void PairEAMAlloy::read_file(char *filename)
MPI_Bcast(&file->cut,1,MPI_DOUBLE,0,world);
file->mass = new double[file->nelements];
- file->frho = memory->create_2d_double_array(file->nelements,file->nrho+1,
- "pair:frho");
- file->rhor = memory->create_2d_double_array(file->nelements,file->nr+1,
- "pair:rhor");
- memory->create(file->z2r,file->nelements,file->nelements,
- file->nr+1,"pair:z2r");
+ memory->create(file->frho,file->nelements,file->nrho+1,"pair:frho");
+ memory->create(file->rhor,file->nelements,file->nr+1,"pair:rhor");
+ memory->create(file->z2r,file->nelements,file->nelements,file->nr+1,
+ "pair:z2r");
int i,j,tmp;
for (i = 0; i < file->nelements; i++) {
@@ -230,8 +228,8 @@ void PairEAMAlloy::file2array()
// nfrho = # of setfl elements + 1 for zero array
nfrho = setfl->nelements + 1;
- memory->destroy_2d_double_array(frho);
- frho = (double **) memory->create_2d_double_array(nfrho,nrho+1,"pair:frho");
+ memory->destroy(frho);
+ memory->create(frho,nfrho,nrho+1,"pair:frho");
// copy each element's frho to global frho
@@ -259,8 +257,8 @@ void PairEAMAlloy::file2array()
// nrhor = # of setfl elements
nrhor = setfl->nelements;
- memory->destroy_2d_double_array(rhor);
- rhor = (double **) memory->create_2d_double_array(nrhor,nr+1,"pair:rhor");
+ memory->destroy(rhor);
+ memory->create(rhor,nrhor,nr+1,"pair:rhor");
// copy each element's rhor to global rhor
@@ -283,8 +281,8 @@ void PairEAMAlloy::file2array()
// nz2r = N*(N+1)/2 where N = # of setfl elements
nz2r = setfl->nelements * (setfl->nelements+1) / 2;
- memory->destroy_2d_double_array(z2r);
- z2r = (double **) memory->create_2d_double_array(nz2r,nr+1,"pair:z2r");
+ memory->destroy(z2r);
+ memory->create(z2r,nz2r,nr+1,"pair:z2r");
// copy each element pair z2r to global z2r, only for I >= J
diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp
index 15059ad39a819dc6f67ec2706cf4279f2475f789..332d78f2ce16608d8edb8a9901a32400ca9ce4ef 100644
--- a/src/MANYBODY/pair_eam_fs.cpp
+++ b/src/MANYBODY/pair_eam_fs.cpp
@@ -60,7 +60,7 @@ void PairEAMFS::coeff(int narg, char **arg)
for (i = 0; i < fs->nelements; i++) delete [] fs->elements[i];
delete [] fs->elements;
delete [] fs->mass;
- memory->destroy_2d_double_array(fs->frho);
+ memory->destroy(fs->frho);
memory->destroy(fs->rhor);
memory->destroy(fs->z2r);
delete fs;
@@ -174,7 +174,7 @@ void PairEAMFS::read_file(char *filename)
MPI_Bcast(&file->cut,1,MPI_DOUBLE,0,world);
file->mass = new double[file->nelements];
- file->frho = memory->create_2d_double_array(file->nelements,file->nrho+1,
+ memory->create(file->frho,file->nelements,file->nrho+1,
"pair:frho");
memory->create(file->rhor,file->nelements,file->nelements,
file->nr+1,"pair:rhor");
@@ -233,8 +233,8 @@ void PairEAMFS::file2array()
// nfrho = # of fs elements + 1 for zero array
nfrho = fs->nelements + 1;
- memory->destroy_2d_double_array(frho);
- frho = (double **) memory->create_2d_double_array(nfrho,nrho+1,"pair:frho");
+ memory->destroy(frho);
+ memory->create(frho,nfrho,nrho+1,"pair:frho");
// copy each element's frho to global frho
@@ -262,8 +262,8 @@ void PairEAMFS::file2array()
// nrhor = square of # of fs elements
nrhor = fs->nelements * fs->nelements;
- memory->destroy_2d_double_array(rhor);
- rhor = (double **) memory->create_2d_double_array(nrhor,nr+1,"pair:rhor");
+ memory->destroy(rhor);
+ memory->create(rhor,nrhor,nr+1,"pair:rhor");
// copy each element pair rhor to global rhor
@@ -290,8 +290,8 @@ void PairEAMFS::file2array()
// nz2r = N*(N+1)/2 where N = # of fs elements
nz2r = fs->nelements * (fs->nelements+1) / 2;
- memory->destroy_2d_double_array(z2r);
- z2r = (double **) memory->create_2d_double_array(nz2r,nr+1,"pair:z2r");
+ memory->destroy(z2r);
+ memory->create(z2r,nz2r,nr+1,"pair:z2r");
// copy each element pair z2r to global z2r, only for I >= J
diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp
index c8e25c31c77d151120c6c76849f5cd1940897488..a7e4400ea3865ecc12d110b4e1e03010782799ed 100644
--- a/src/MANYBODY/pair_eim.cpp
+++ b/src/MANYBODY/pair_eim.cpp
@@ -77,12 +77,12 @@ PairEIM::~PairEIM()
memory->sfree(fp);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
- memory->destroy_2d_int_array(type2Fij);
- memory->destroy_2d_int_array(type2Gij);
- memory->destroy_2d_int_array(type2phiij);
+ memory->destroy(type2Fij);
+ memory->destroy(type2Gij);
+ memory->destroy(type2phiij);
}
for (int i = 0; i < nelements; i++) delete [] elements[i];
@@ -92,10 +92,10 @@ PairEIM::~PairEIM()
delete [] negativity;
delete [] q0;
- memory->destroy_2d_double_array(cutforcesq);
- memory->destroy_2d_double_array(Fij);
- memory->destroy_2d_double_array(Gij);
- memory->destroy_2d_double_array(phiij);
+ memory->destroy(cutforcesq);
+ memory->destroy(Fij);
+ memory->destroy(Gij);
+ memory->destroy(phiij);
memory->destroy(Fij_spline);
memory->destroy(Gij_spline);
@@ -320,19 +320,19 @@ void PairEIM::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
for (int i = 1; i <= n; i++) map[i] = -1;
- type2Fij = memory->create_2d_int_array(n+1,n+1,"pair:type2Fij");
- type2Gij = memory->create_2d_int_array(n+1,n+1,"pair:type2Gij");
- type2phiij = memory->create_2d_int_array(n+1,n+1,"pair:type2phiij");
+ memory->create(type2Fij,n+1,n+1,"pair:type2Fij");
+ memory->create(type2Gij,n+1,n+1,"pair:type2Gij");
+ memory->create(type2phiij,n+1,n+1,"pair:type2phiij");
}
/* ----------------------------------------------------------------------
@@ -542,8 +542,7 @@ void PairEIM::read_file(char *filename)
}
setfl->dr = setfl->cut/(setfl->nr-1.0);
- setfl->cuts = memory->create_2d_double_array(nelements,
- nelements,"pair:cuts");
+ memory->create(setfl->cuts,nelements,nelements,"pair:cuts");
for (int i = 0; i < nelements; i++) {
for (int j = 0; j < nelements; j++) {
if (i > j) {
@@ -635,7 +634,7 @@ void PairEIM::deallocate_setfl()
delete [] setfl->zeta;
delete [] setfl->rs;
delete [] setfl->tp;
- memory->destroy_2d_double_array(setfl->cuts);
+ memory->destroy(setfl->cuts);
memory->destroy(setfl->Fij);
memory->destroy(setfl->Gij);
memory->destroy(setfl->phiij);
@@ -658,8 +657,7 @@ void PairEIM::file2array()
delete [] cutforcesq;
negativity = new double[ntypes+1];
q0 = new double[ntypes+1];
- cutforcesq = memory->create_2d_double_array(ntypes+1,ntypes+1,
- "pair:cutforcesq");
+ memory->create(cutforcesq,ntypes+1,ntypes+1,"pair:cutforcesq");
for (i = 1; i <= ntypes; i++) {
if (map[i] == -1) {
negativity[i]=0.0;
@@ -689,8 +687,8 @@ void PairEIM::file2array()
// ------------------------------------------------------------------
nFij = nelements*nelements + 1;
- memory->destroy_2d_double_array(Fij);
- Fij = (double **) memory->create_2d_double_array(nFij,nr+1,"pair:Fij");
+ memory->destroy(Fij);
+ memory->create(Fij,nFij,nr+1,"pair:Fij");
// copy each element's Fij to global Fij
@@ -731,8 +729,8 @@ void PairEIM::file2array()
// ------------------------------------------------------------------
nGij = nelements * (nelements+1) / 2 + 1;
- memory->destroy_2d_double_array(Gij);
- Gij = (double **) memory->create_2d_double_array(nGij,nr+1,"pair:Gij");
+ memory->destroy(Gij);
+ memory->create(Gij,nGij,nr+1,"pair:Gij");
// copy each element's Gij to global Gij, only for I >= J
@@ -778,8 +776,8 @@ void PairEIM::file2array()
// ------------------------------------------------------------------
nphiij = nelements * (nelements+1) / 2 + 1;
- memory->destroy_2d_double_array(phiij);
- phiij = (double **) memory->create_2d_double_array(nphiij,nr+1,"pair:phiij");
+ memory->destroy(phiij);
+ memory->create(phiij,nphiij,nr+1,"pair:phiij");
// copy each element pair phiij to global phiij, only for I >= J
diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp
index 6c22f645a3051fce88ede048d771d29c4ee6c87c..3f18b6ff3dcb52510f495d4b4ccbd92a3c510ee9 100755
--- a/src/MANYBODY/pair_sw.cpp
+++ b/src/MANYBODY/pair_sw.cpp
@@ -63,8 +63,8 @@ PairSW::~PairSW()
memory->destroy(elem2param);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
}
}
@@ -200,8 +200,8 @@ void PairSW::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
}
diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp
index f21ff4e918e25ee6a5191b5b91b8ed60a6cc2a04..4cdb13573576a77f7393965a78cb48e948e3cdec 100755
--- a/src/MANYBODY/pair_tersoff.cpp
+++ b/src/MANYBODY/pair_tersoff.cpp
@@ -65,8 +65,8 @@ PairTersoff::~PairTersoff()
memory->destroy(elem2param);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
}
}
@@ -240,8 +240,8 @@ void PairTersoff::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
}
diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp
index 2f89c0694ef9bcbbc5341fb021a84875c43170c4..e26ee6c1e06515938d5577ef0a37e9b20d6f0f6d 100644
--- a/src/MEAM/pair_meam.cpp
+++ b/src/MEAM/pair_meam.cpp
@@ -90,12 +90,12 @@ PairMEAM::~PairMEAM()
memory->sfree(dgamma3);
memory->sfree(arho2b);
- memory->destroy_2d_double_array(arho1);
- memory->destroy_2d_double_array(arho2);
- memory->destroy_2d_double_array(arho3);
- memory->destroy_2d_double_array(arho3b);
- memory->destroy_2d_double_array(t_ave);
- memory->destroy_2d_double_array(tsq_ave);
+ memory->destroy(arho1);
+ memory->destroy(arho2);
+ memory->destroy(arho3);
+ memory->destroy(arho3b);
+ memory->destroy(t_ave);
+ memory->destroy(tsq_ave);
memory->sfree(scrfcn);
memory->sfree(dscrfcn);
@@ -106,8 +106,8 @@ PairMEAM::~PairMEAM()
delete [] mass;
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
delete [] fmap;
}
@@ -143,12 +143,12 @@ void PairMEAM::compute(int eflag, int vflag)
memory->sfree(dgamma2);
memory->sfree(dgamma3);
memory->sfree(arho2b);
- memory->destroy_2d_double_array(arho1);
- memory->destroy_2d_double_array(arho2);
- memory->destroy_2d_double_array(arho3);
- memory->destroy_2d_double_array(arho3b);
- memory->destroy_2d_double_array(t_ave);
- memory->destroy_2d_double_array(tsq_ave);
+ memory->destroy(arho1);
+ memory->destroy(arho2);
+ memory->destroy(arho3);
+ memory->destroy(arho3b);
+ memory->destroy(t_ave);
+ memory->destroy(tsq_ave);
nmax = atom->nmax;
@@ -163,12 +163,12 @@ void PairMEAM::compute(int eflag, int vflag)
dgamma2 = (double *) memory->smalloc(nmax*sizeof(double),"pair:dgamma2");
dgamma3 = (double *) memory->smalloc(nmax*sizeof(double),"pair:dgamma3");
arho2b = (double *) memory->smalloc(nmax*sizeof(double),"pair:arho2b");
- arho1 = memory->create_2d_double_array(nmax,3,"pair:arho1");
- arho2 = memory->create_2d_double_array(nmax,6,"pair:arho2");
- arho3 = memory->create_2d_double_array(nmax,10,"pair:arho3");
- arho3b = memory->create_2d_double_array(nmax,3,"pair:arho3b");
- t_ave = memory->create_2d_double_array(nmax,3,"pair:t_ave");
- tsq_ave = memory->create_2d_double_array(nmax,3,"pair:tsq_ave");
+ memory->create(arho1,nmax,3,"pair:arho1");
+ memory->create(arho2,nmax,6,"pair:arho2");
+ memory->create(arho3,nmax,10,"pair:arho3");
+ memory->create(arho3b,nmax,3,"pair:arho3b");
+ memory->create(t_ave,nmax,3,"pair:t_ave");
+ memory->create(tsq_ave,nmax,3,"pair:tsq_ave");
}
// neighbor list info
@@ -307,8 +307,8 @@ void PairMEAM::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
fmap = new int[n];
diff --git a/src/MOLECULE/angle_hybrid.cpp b/src/MOLECULE/angle_hybrid.cpp
index ba9ed9ee9614dd0ff0bb03317489d86bce6414cd..183366b63eb65a6f1b279cc76e6f5983a6df9fde 100644
--- a/src/MOLECULE/angle_hybrid.cpp
+++ b/src/MOLECULE/angle_hybrid.cpp
@@ -51,7 +51,7 @@ AngleHybrid::~AngleHybrid()
delete [] nanglelist;
delete [] maxangle;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(anglelist[i]);
+ memory->destroy(anglelist[i]);
delete [] anglelist;
}
}
@@ -80,10 +80,9 @@ void AngleHybrid::compute(int eflag, int vflag)
}
for (m = 0; m < nstyles; m++) {
if (nanglelist[m] > maxangle[m]) {
- memory->destroy_2d_int_array(anglelist[m]);
+ memory->destroy(anglelist[m]);
maxangle[m] = nanglelist[m] + EXTRA;
- anglelist[m] = (int **)
- memory->create_2d_int_array(maxangle[m],4,"angle_hybrid:anglelist");
+ memory->create(anglelist[m],maxangle[m],4,"angle_hybrid:anglelist");
}
nanglelist[m] = 0;
}
@@ -180,7 +179,7 @@ void AngleHybrid::settings(int narg, char **arg)
delete [] nanglelist;
delete [] maxangle;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(anglelist[i]);
+ memory->destroy(anglelist[i]);
delete [] anglelist;
}
allocated = 0;
diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp
index 6b2adfbdfa9e81cffbdab5ea5cbaee887ca99d0b..54c5cc6746c5e99ebe07339e2965de5d14016237 100644
--- a/src/MOLECULE/atom_vec_angle.cpp
+++ b/src/MOLECULE/atom_vec_angle.cpp
@@ -667,9 +667,7 @@ int AtomVecAngle::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/MOLECULE/atom_vec_bond.cpp b/src/MOLECULE/atom_vec_bond.cpp
index 451e6ff87c3760231838c7c4789ec016231a7655..5900aa460945f6f0519d97a29c9633400521c4f9 100644
--- a/src/MOLECULE/atom_vec_bond.cpp
+++ b/src/MOLECULE/atom_vec_bond.cpp
@@ -636,9 +636,7 @@ int AtomVecBond::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/MOLECULE/atom_vec_full.cpp b/src/MOLECULE/atom_vec_full.cpp
index 26b2e99f8211f005bf631778328f111af039715e..8261b4317e80840da45636124c461e417ff942f0 100644
--- a/src/MOLECULE/atom_vec_full.cpp
+++ b/src/MOLECULE/atom_vec_full.cpp
@@ -807,9 +807,7 @@ int AtomVecFull::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp
index ec039b7be2b57aaf22d88ff12515f1bb087b985c..84bfa9f27a02539472200bba16f5e276fd04f8ee 100644
--- a/src/MOLECULE/atom_vec_molecular.cpp
+++ b/src/MOLECULE/atom_vec_molecular.cpp
@@ -793,9 +793,7 @@ int AtomVecMolecular::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/MOLECULE/dihedral_hybrid.cpp b/src/MOLECULE/dihedral_hybrid.cpp
index dde226fae2429df51bd1edb911f5589aa9c643cd..4ca0fd99d685ae007d3fdeb525002cadb9426398 100644
--- a/src/MOLECULE/dihedral_hybrid.cpp
+++ b/src/MOLECULE/dihedral_hybrid.cpp
@@ -50,7 +50,7 @@ DihedralHybrid::~DihedralHybrid()
delete [] ndihedrallist;
delete [] maxdihedral;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(dihedrallist[i]);
+ memory->destroy(dihedrallist[i]);
delete [] dihedrallist;
}
}
@@ -79,11 +79,10 @@ void DihedralHybrid::compute(int eflag, int vflag)
}
for (m = 0; m < nstyles; m++) {
if (ndihedrallist[m] > maxdihedral[m]) {
- memory->destroy_2d_int_array(dihedrallist[m]);
+ memory->destroy(dihedrallist[m]);
maxdihedral[m] = ndihedrallist[m] + EXTRA;
- dihedrallist[m] = (int **)
- memory->create_2d_int_array(maxdihedral[m],5,
- "dihedral_hybrid:dihedrallist");
+ memory->create(dihedrallist[m],maxdihedral[m],5,
+ "dihedral_hybrid:dihedrallist");
}
ndihedrallist[m] = 0;
}
diff --git a/src/MOLECULE/improper_hybrid.cpp b/src/MOLECULE/improper_hybrid.cpp
index 4e83f8b5b72d85b74db5c9331f9bf2e0b0d37480..01b9fc7bc54e4868c55b42a36c4848e50444b338 100644
--- a/src/MOLECULE/improper_hybrid.cpp
+++ b/src/MOLECULE/improper_hybrid.cpp
@@ -50,7 +50,7 @@ ImproperHybrid::~ImproperHybrid()
delete [] nimproperlist;
delete [] maximproper;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(improperlist[i]);
+ memory->destroy(improperlist[i]);
delete [] improperlist;
}
}
@@ -79,11 +79,10 @@ void ImproperHybrid::compute(int eflag, int vflag)
}
for (m = 0; m < nstyles; m++) {
if (nimproperlist[m] > maximproper[m]) {
- memory->destroy_2d_int_array(improperlist[m]);
+ memory->destroy(improperlist[m]);
maximproper[m] = nimproperlist[m] + EXTRA;
- improperlist[m] = (int **)
- memory->create_2d_int_array(maximproper[m],5,
- "improper_hybrid:improperlist");
+ memory->create(improperlist[m],maximproper[m],5,
+ "improper_hybrid:improperlist");
}
nimproperlist[m] = 0;
}
diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
index c6d243837370dd068cf270b9ddc52a458730ad2a..b97e2969c1a1374eacd2d05b1c0f826aad750e6f 100644
--- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp
+++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
@@ -66,8 +66,8 @@ PairHbondDreidingLJ::~PairHbondDreidingLJ()
delete [] pvector;
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] donor;
delete [] acceptor;
@@ -244,12 +244,12 @@ void PairHbondDreidingLJ::allocate()
// mark all setflag as set, since don't require pair_coeff of all I,J
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 1;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
donor = new int[n+1];
acceptor = new int[n+1];
diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
index 1326d3ecd372d29dccee81110da2599b78c6471f..b8f2ffa62dd12aab1ef6bb14834cb8d05f0ee602 100644
--- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
+++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
@@ -48,21 +48,21 @@ PairLJCharmmCoulCharmm::PairLJCharmmCoulCharmm(LAMMPS *lmp) : Pair(lmp)
PairLJCharmmCoulCharmm::~PairLJCharmmCoulCharmm()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(eps14);
- memory->destroy_2d_double_array(sigma14);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(lj14_1);
- memory->destroy_2d_double_array(lj14_2);
- memory->destroy_2d_double_array(lj14_3);
- memory->destroy_2d_double_array(lj14_4);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(eps14);
+ memory->destroy(sigma14);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(lj14_1);
+ memory->destroy(lj14_2);
+ memory->destroy(lj14_3);
+ memory->destroy(lj14_4);
}
}
@@ -202,25 +202,25 @@ void PairLJCharmmCoulCharmm::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- eps14 = memory->create_2d_double_array(n+1,n+1,"pair:eps14");
- sigma14 = memory->create_2d_double_array(n+1,n+1,"pair:sigma14");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- lj14_1 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_1");
- lj14_2 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_2");
- lj14_3 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_3");
- lj14_4 = memory->create_2d_double_array(n+1,n+1,"pair:lj14_4");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(eps14,n+1,n+1,"pair:eps14");
+ memory->create(sigma14,n+1,n+1,"pair:sigma14");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(lj14_1,n+1,n+1,"pair:lj14_1");
+ memory->create(lj14_2,n+1,n+1,"pair:lj14_2");
+ memory->create(lj14_3,n+1,n+1,"pair:lj14_3");
+ memory->create(lj14_4,n+1,n+1,"pair:lj14_4");
}
/* ----------------------------------------------------------------------
diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp
index 23be75893a9b19747b8dc35793b0eaf12719982c..68110b329ce601aa8e73eba9d8018a39dee0154c 100644
--- a/src/PERI/atom_vec_peri.cpp
+++ b/src/PERI/atom_vec_peri.cpp
@@ -664,9 +664,7 @@ int AtomVecPeri::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp
index 3178e31d3efe96c71d5618fbaa69db03255faafa..3b2cf8642dd3e5992b106a6865ff59ce0597dd41 100644
--- a/src/PERI/fix_peri_neigh.cpp
+++ b/src/PERI/fix_peri_neigh.cpp
@@ -83,8 +83,8 @@ FixPeriNeigh::~FixPeriNeigh()
// delete locally stored arrays
memory->sfree(npartner);
- memory->destroy_2d_int_array(partner);
- memory->destroy_2d_double_array(r0);
+ memory->destroy(partner);
+ memory->destroy(r0);
memory->sfree(vinter);
memory->sfree(wvolume);
}
@@ -195,8 +195,8 @@ void FixPeriNeigh::setup(int vflag)
// realloc arrays with correct value for maxpartner
- memory->destroy_2d_int_array(partner);
- memory->destroy_2d_double_array(r0);
+ memory->destroy(partner);
+ memory->destroy(r0);
memory->sfree(npartner);
npartner = NULL;
@@ -356,9 +356,8 @@ void FixPeriNeigh::grow_arrays(int nmax)
{
npartner = (int *) memory->srealloc(npartner,nmax*sizeof(int),
"peri_neigh:npartner");
- partner = memory->grow_2d_int_array(partner,nmax,maxpartner,
- "peri_neigh:partner");
- r0 = memory->grow_2d_double_array(r0,nmax,maxpartner,"peri_neigh:r0");
+ memory->grow(partner,nmax,maxpartner,"peri_neigh:partner");
+ memory->grow(r0,nmax,maxpartner,"peri_neigh:r0");
vinter = (double *) memory->srealloc(vinter,nmax*sizeof(double),
"peri_neigh:vinter");
wvolume = (double *) memory->srealloc(wvolume,nmax*sizeof(double),
diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp
index fc92015c16b51d51315cac0b0e4270bb62c2548a..db7d67791e56ef347620cb06233e49fcdb325fe7 100644
--- a/src/PERI/pair_peri_lps.cpp
+++ b/src/PERI/pair_peri_lps.cpp
@@ -70,13 +70,13 @@ PairPeriLPS::~PairPeriLPS()
if (ifix_peri >= 0) modify->delete_fix("PERI_NEIGH");
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(bulkmodulus);
- memory->destroy_2d_double_array(shearmodulus);
- memory->destroy_2d_double_array(s00);
- memory->destroy_2d_double_array(alpha);
- memory->destroy_2d_double_array(cut);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(bulkmodulus);
+ memory->destroy(shearmodulus);
+ memory->destroy(s00);
+ memory->destroy(alpha);
+ memory->destroy(cut);
memory->sfree(theta);
memory->sfree(s0_new);
}
@@ -343,18 +343,17 @@ void PairPeriLPS::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
- bulkmodulus = memory->create_2d_double_array(n+1,n+1,"pair:bulkmodulus");
- shearmodulus = memory->create_2d_double_array(n+1,n+1,"pair:shearmodulus");
- s00 = memory->create_2d_double_array(n+1,n+1,"pair:s00");
- alpha = memory->create_2d_double_array(n+1,n+1,"pair:alpha");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
-
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+ memory->create(bulkmodulus,n+1,n+1,"pair:bulkmodulus");
+ memory->create(shearmodulus,n+1,n+1,"pair:shearmodulus");
+ memory->create(s00,n+1,n+1,"pair:s00");
+ memory->create(alpha,n+1,n+1,"pair:alpha");
+ memory->create(cut,n+1,n+1,"pair:cut");
}
/* ----------------------------------------------------------------------
diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp
index afb1f017a8599b0fefc63ea4f3e4ee010b9cc698..29739f5bd6d0bff0b9e3d917cf836e7b23d4da5d 100644
--- a/src/PERI/pair_peri_pmb.cpp
+++ b/src/PERI/pair_peri_pmb.cpp
@@ -65,12 +65,12 @@ PairPeriPMB::~PairPeriPMB()
if (ifix_peri >= 0) modify->delete_fix("PERI_NEIGH");
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(kspring);
- memory->destroy_2d_double_array(s00);
- memory->destroy_2d_double_array(alpha);
- memory->destroy_2d_double_array(cut);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(kspring);
+ memory->destroy(s00);
+ memory->destroy(alpha);
+ memory->destroy(cut);
memory->sfree(s0_new);
}
}
@@ -284,16 +284,16 @@ void PairPeriPMB::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
- kspring = memory->create_2d_double_array(n+1,n+1,"pair:kspring");
- s00 = memory->create_2d_double_array(n+1,n+1,"pair:s00");
- alpha = memory->create_2d_double_array(n+1,n+1,"pair:alpha");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+ memory->create(kspring,n+1,n+1,"pair:kspring");
+ memory->create(s00,n+1,n+1,"pair:s00");
+ memory->create(alpha,n+1,n+1,"pair:alpha");
+ memory->create(cut,n+1,n+1,"pair:cut");
}
/* ----------------------------------------------------------------------
diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp
index f4edb3f1cfc3905c8d10b8334caa2d7d125fee3c..b928dcfcf2b8ce28af250cc643b96292aded69f7 100644
--- a/src/POEMS/fix_poems.cpp
+++ b/src/POEMS/fix_poems.cpp
@@ -197,19 +197,19 @@ FixPOEMS::FixPOEMS(LAMMPS *lmp, int narg, char **arg) :
nrigid = new int[nbody];
masstotal = new double[nbody];
- xcm = memory->create_2d_double_array(nbody,3,"poems:xcm");
- vcm = memory->create_2d_double_array(nbody,3,"poems:vcm");
- fcm = memory->create_2d_double_array(nbody,3,"poems:fcm");
- inertia = memory->create_2d_double_array(nbody,3,"poems:inertia");
- ex_space = memory->create_2d_double_array(nbody,3,"poems:ex_space");
- ey_space = memory->create_2d_double_array(nbody,3,"poems:ey_space");
- ez_space = memory->create_2d_double_array(nbody,3,"poems:ez_space");
- angmom = memory->create_2d_double_array(nbody,3,"poems:angmom");
- omega = memory->create_2d_double_array(nbody,3,"poems:omega");
- torque = memory->create_2d_double_array(nbody,3,"poems:torque");
-
- sum = memory->create_2d_double_array(nbody,6,"poems:sum");
- all = memory->create_2d_double_array(nbody,6,"poems:all");
+ memory->create(xcm,nbody,3,"poems:xcm");
+ memory->create(vcm,nbody,3,"poems:vcm");
+ memory->create(fcm,nbody,3,"poems:fcm");
+ memory->create(inertia,nbody,3,"poems:inertia");
+ memory->create(ex_space,nbody,3,"poems:ex_space");
+ memory->create(ey_space,nbody,3,"poems:ey_space");
+ memory->create(ez_space,nbody,3,"poems:ez_space");
+ memory->create(angmom,nbody,3,"poems:angmom");
+ memory->create(omega,nbody,3,"poems:omega");
+ memory->create(torque,nbody,3,"poems:torque");
+
+ memory->create(sum,nbody,6,"poems:sum");
+ memory->create(all,nbody,6,"poems:all");
// nrigid[n] = # of atoms in Nth rigid body
// double count joint atoms as being in multiple bodies
@@ -273,31 +273,31 @@ FixPOEMS::~FixPOEMS()
// delete locally stored arrays
memory->sfree(natom2body);
- memory->destroy_2d_int_array(atom2body);
- memory->destroy_2d_double_array(displace);
+ memory->destroy(atom2body);
+ memory->destroy(displace);
// delete nbody-length arrays
delete [] nrigid;
delete [] masstotal;
- memory->destroy_2d_double_array(xcm);
- memory->destroy_2d_double_array(vcm);
- memory->destroy_2d_double_array(fcm);
- memory->destroy_2d_double_array(inertia);
- memory->destroy_2d_double_array(ex_space);
- memory->destroy_2d_double_array(ey_space);
- memory->destroy_2d_double_array(ez_space);
- memory->destroy_2d_double_array(angmom);
- memory->destroy_2d_double_array(omega);
- memory->destroy_2d_double_array(torque);
-
- memory->destroy_2d_double_array(sum);
- memory->destroy_2d_double_array(all);
+ memory->destroy(xcm);
+ memory->destroy(vcm);
+ memory->destroy(fcm);
+ memory->destroy(inertia);
+ memory->destroy(ex_space);
+ memory->destroy(ey_space);
+ memory->destroy(ez_space);
+ memory->destroy(angmom);
+ memory->destroy(omega);
+ memory->destroy(torque);
+
+ memory->destroy(sum);
+ memory->destroy(all);
// delete joint arrays
- memory->destroy_2d_int_array(jointbody);
- memory->destroy_2d_double_array(xjoint);
+ memory->destroy(jointbody);
+ memory->destroy(xjoint);
delete [] freelist;
// delete POEMS object
@@ -440,8 +440,9 @@ void FixPOEMS::init()
// inertia = 3 eigenvalues = principal moments of inertia
// ex_space,ey_space,ez_space = 3 eigenvectors = principal axes of rigid body
- double **tensor = memory->create_2d_double_array(3,3,"fix_rigid:tensor");
- double **evectors = memory->create_2d_double_array(3,3,"fix_rigid:evectors");
+ double **tensor,**evectors;
+ memory->create(tensor,3,3,"fix_rigid:tensor");
+ memory->create(evectors,3,3,"fix_rigid:evectors");
int ierror;
double ez0,ez1,ez2;
@@ -501,8 +502,8 @@ void FixPOEMS::init()
// free temporary memory
- memory->destroy_2d_double_array(tensor);
- memory->destroy_2d_double_array(evectors);
+ memory->destroy(tensor);
+ memory->destroy(evectors);
// displace = initial atom coords in basis of principal axes
// only set joint atoms relative to 1st body
@@ -974,7 +975,7 @@ void FixPOEMS::jointbuild()
}
int **mylist = NULL;
- if (mjoint) mylist = memory->create_2d_int_array(mjoint,3,"poems:mylist");
+ if (mjoint) memory->create(mylist,mjoint,3,"poems:mylist");
mjoint = 0;
for (i = 0; i < nlocal; i++) {
@@ -991,7 +992,7 @@ void FixPOEMS::jointbuild()
MPI_Allreduce(&mjoint,&njoint,1,MPI_INT,MPI_SUM,world);
int **jlist = NULL;
- if (njoint) jlist = memory->create_2d_int_array(njoint,3,"poems:jlist");
+ if (njoint) memory->create(jlist,njoint,3,"poems:jlist");
int nprocs;
MPI_Comm_size(world,&nprocs);
@@ -1052,9 +1053,9 @@ void FixPOEMS::jointbuild()
xjoint = NULL;
double **myjoint = NULL;
if (njoint) {
- jointbody = memory->create_2d_int_array(njoint,2,"poems:jointbody");
- xjoint = memory->create_2d_double_array(njoint,3,"poems:xjoint");
- myjoint = memory->create_2d_double_array(njoint,3,"poems:myjoint");
+ memory->create(jointbody,njoint,2,"poems:jointbody");
+ memory->create(xjoint,njoint,3,"poems:xjoint");
+ memory->create(myjoint,njoint,3,"poems:myjoint");
}
double **x = atom->x;
@@ -1095,9 +1096,9 @@ void FixPOEMS::jointbuild()
// free memory local to this routine
- memory->destroy_2d_int_array(mylist);
- memory->destroy_2d_int_array(jlist);
- memory->destroy_2d_double_array(myjoint);
+ memory->destroy(mylist);
+ memory->destroy(jlist);
+ memory->destroy(myjoint);
}
/* ----------------------------------------------------------------------
@@ -1161,7 +1162,8 @@ int FixPOEMS::loopcheck(int nvert, int nedge, int **elist)
int emax = 0;
for (i = 0; i < nvert; i++) emax = MAX(emax,ecount[i]);
- int **elistfull = memory->create_2d_int_array(nvert,emax,"poems:elistfull");
+ int **elistfull;
+ memory->create(elistfull,nvert,emax,"poems:elistfull");
for (i = 0; i < nvert; i++) ecount[i] = 0;
for (i = 0; i < nedge; i++) {
elistfull[elist[i][0]][ecount[elist[i][0]]++] = elist[i][1];
@@ -1214,7 +1216,7 @@ int FixPOEMS::loopcheck(int nvert, int nedge, int **elist)
// free memory local to this routine
delete [] ecount;
- memory->destroy_2d_int_array(elistfull);
+ memory->destroy(elistfull);
delete [] parent;
delete [] mark;
delete [] stack;
@@ -1524,10 +1526,8 @@ void FixPOEMS::grow_arrays(int nmax)
{
natom2body = (int *)
memory->srealloc(natom2body,nmax*sizeof(int),"fix_poems:natom2body");
- atom2body =
- memory->grow_2d_int_array(atom2body,nmax,MAXBODY,"fix_poems:atom2body");
- displace =
- memory->grow_2d_double_array(displace,nmax,3,"fix_poems:displace");
+ memory->grow(atom2body,nmax,MAXBODY,"fix_poems:atom2body");
+ memory->grow(displace,nmax,3,"fix_poems:displace");
}
/* ----------------------------------------------------------------------
diff --git a/src/REAX/pair_reax.cpp b/src/REAX/pair_reax.cpp
index 5553293ccac9f937767e88583164f7920798eef2..73dd8de20d5252ab1fab6e6d44ad2bdddbb499b7 100644
--- a/src/REAX/pair_reax.cpp
+++ b/src/REAX/pair_reax.cpp
@@ -92,8 +92,8 @@ PairREAX::~PairREAX()
delete [] pvector;
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
for (int i = 1; i <= atom->ntypes; i++)
delete [] param_list[i].params;
@@ -471,8 +471,8 @@ void PairREAX::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
param_list = new ff_params[n+1];
for (int i = 1; i <= n; i++)
diff --git a/src/REPLICA/fix_event.cpp b/src/REPLICA/fix_event.cpp
index 0cbbb91e89e6dff60103556c469b795556e9329a..44818c9a385a1fd9dfe1b3005c29c7dc02f5fa11 100644
--- a/src/REPLICA/fix_event.cpp
+++ b/src/REPLICA/fix_event.cpp
@@ -59,9 +59,9 @@ FixEvent::~FixEvent()
// delete locally stored array
- memory->destroy_2d_double_array(xevent);
- memory->destroy_2d_double_array(xold);
- memory->destroy_2d_double_array(vold);
+ memory->destroy(xevent);
+ memory->destroy(xold);
+ memory->destroy(vold);
memory->sfree(imageold);
}
@@ -178,9 +178,9 @@ double FixEvent::memory_usage()
void FixEvent::grow_arrays(int nmax)
{
- xevent = memory->grow_2d_double_array(xevent,nmax,3,"event:xevent");
- xold = memory->grow_2d_double_array(xold,nmax,3,"event:xold");
- vold = memory->grow_2d_double_array(vold,nmax,3,"event:vold");
+ memory->grow(xevent,nmax,3,"event:xevent");
+ memory->grow(xold,nmax,3,"event:xold");
+ memory->grow(vold,nmax,3,"event:vold");
imageold = (int *)
memory->srealloc(imageold,nmax*sizeof(int),"event:imageold");
diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp
index 6d9074964f7800cc74c861487ab609ff8889ff7a..ad27e54dd99dcff7251dcffb3f12d44b931a8cc8 100644
--- a/src/REPLICA/fix_neb.cpp
+++ b/src/REPLICA/fix_neb.cpp
@@ -78,9 +78,9 @@ FixNEB::~FixNEB()
modify->delete_compute(id_pe);
delete [] id_pe;
- memory->destroy_2d_double_array(xprev);
- memory->destroy_2d_double_array(xnext);
- memory->destroy_2d_double_array(tangent);
+ memory->destroy(xprev);
+ memory->destroy(xnext);
+ memory->destroy(tangent);
}
/* ---------------------------------------------------------------------- */
@@ -107,13 +107,13 @@ void FixNEB::init()
// setup xprev and xnext arrays
- memory->destroy_2d_double_array(xprev);
- memory->destroy_2d_double_array(xnext);
- memory->destroy_2d_double_array(tangent);
+ memory->destroy(xprev);
+ memory->destroy(xnext);
+ memory->destroy(tangent);
nebatoms = atom->nlocal;
- xprev = memory->create_2d_double_array(nebatoms,3,"neb:xprev");
- xnext = memory->create_2d_double_array(nebatoms,3,"neb:xnext");
- tangent = memory->create_2d_double_array(nebatoms,3,"neb:tangent");
+ memory->create(xprev,nebatoms,3,"neb:xprev");
+ memory->create(xnext,nebatoms,3,"neb:xnext");
+ memory->create(tangent,nebatoms,3,"neb:tangent");
}
/* ---------------------------------------------------------------------- */
diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp
index a46f84d62218129fe2c4eae2322e0ed1dc9dd68f..4c4fc35633eda43c7d94d93a6af91555384eb116 100644
--- a/src/REPLICA/neb.cpp
+++ b/src/REPLICA/neb.cpp
@@ -90,7 +90,7 @@ NEB::NEB(LAMMPS *lmp, double etol_in, double ftol_in, int n1steps_in,
NEB::~NEB()
{
MPI_Comm_free(&roots);
- memory->destroy_2d_double_array(all);
+ memory->destroy(all);
delete [] rdist;
}
@@ -167,7 +167,7 @@ void NEB::run()
fneb = (FixNEB *) modify->fix[ineb];
nall = 4;
- all = memory->create_2d_double_array(nreplica,nall,"neb:all");
+ memory->create(all,nreplica,nall,"neb:all");
rdist = new double[nreplica];
// initialize LAMMPS
diff --git a/src/REPLICA/prd.cpp b/src/REPLICA/prd.cpp
index 84d711270580bb5b94ce8c3a60bdc38c9bc45269..c433370d7a6791074134b51d5b37b1336774e0fa 100644
--- a/src/REPLICA/prd.cpp
+++ b/src/REPLICA/prd.cpp
@@ -126,7 +126,7 @@ void PRD::command(int narg, char **arg)
if (nreplica != nprocs_universe) {
displacements = new int[nprocs];
tagall = (int *) memory->smalloc(natoms*sizeof(int),"prd:tagall");
- xall = memory->create_2d_double_array(natoms,3,"prd:xall");
+ memory->create(xall,natoms,3,"prd:xall");
imageall = (int *) memory->smalloc(natoms*sizeof(int),"prd:imageall");
}
@@ -407,7 +407,7 @@ void PRD::command(int narg, char **arg)
delete [] displacements;
memory->sfree(tagall);
- memory->destroy_2d_double_array(xall);
+ memory->destroy(xall);
memory->sfree(imageall);
MPI_Comm_free(&comm_replica);
diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp
index d7ec560fa0c8eb8f9b7eadbd3f6d9a59f301c028..4892c424671fe5c8e8a4b690046be32a72c5aa34 100644
--- a/src/SRD/fix_srd.cpp
+++ b/src/SRD/fix_srd.cpp
@@ -265,9 +265,9 @@ FixSRD::~FixSRD()
}
memory->sfree(nbinbig);
- memory->destroy_2d_int_array(binbig);
+ memory->destroy(binbig);
memory->sfree(binsrd);
- memory->destroy_2d_int_array(stencil);
+ memory->destroy(stencil);
memory->sfree(biglist);
}
@@ -3123,10 +3123,10 @@ void FixSRD::setup_search_bins()
nbins2 = nbin2x*nbin2y*nbin2z;
if (nbins2 > maxbin2) {
memory->sfree(nbinbig);
- memory->destroy_2d_int_array(binbig);
+ memory->destroy(binbig);
maxbin2 = nbins2;
nbinbig = (int *) memory->smalloc(nbins2*sizeof(int),"fix/srd:nbinbig");
- binbig = memory->create_2d_int_array(nbins2,ATOMPERBIN,"fix/srd:binbig");
+ memory->create(binbig,nbins2,ATOMPERBIN,"fix/srd:binbig");
}
}
@@ -3153,9 +3153,9 @@ void FixSRD::setup_search_stencil()
int max = (2*nx+1) * (2*ny+1) * (2*nz+1);
if (max > maxstencil) {
- memory->destroy_2d_int_array(stencil);
+ memory->destroy(stencil);
maxstencil = max;
- stencil = memory->create_2d_int_array(max,4,"fix/srd:stencil");
+ memory->create(stencil,max,4,"fix/srd:stencil");
}
// loop over all bins
diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp
index 9c8eb4ce5aa304e07d1525448b662aadafabfc16..2f18d288376f48aa545fa41b0605da6331fc78e5 100644
--- a/src/SRD/fix_wall_srd.cpp
+++ b/src/SRD/fix_wall_srd.cpp
@@ -116,8 +116,8 @@ FixWallSRD::FixWallSRD(LAMMPS *lmp, int narg, char **arg) :
global_freq = 1;
extarray = 1;
- fwall = memory->create_2d_double_array(nwall,3,"wall/srd:fwall");
- fwall_all = memory->create_2d_double_array(nwall,3,"wall/srd:fwall_all");
+ memory->create(fwall,nwall,3,"wall/srd:fwall");
+ memory->create(fwall_all,nwall,3,"wall/srd:fwall_all");
// scale coord for CONSTANT walls
@@ -169,8 +169,8 @@ FixWallSRD::~FixWallSRD()
{
for (int m = 0; m < nwall; m++)
if (wallstyle[m] == VARIABLE) delete [] varstr[m];
- memory->destroy_2d_double_array(fwall);
- memory->destroy_2d_double_array(fwall_all);
+ memory->destroy(fwall);
+ memory->destroy(fwall_all);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp
index fa9a8d25cd57df34a0298d4ff36d6975f0f254d2..87b9db2ba87984dee5b45d4f80093fdb804c51ea 100644
--- a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp
+++ b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp
@@ -39,10 +39,10 @@ PairCGCMMCoulCut::PairCGCMMCoulCut(LAMMPS *lmp) : PairCMMCommon(lmp)
PairCGCMMCoulCut::~PairCGCMMCoulCut()
{
if (allocated_coul) {
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
allocated_coul=0;
}
}
@@ -56,10 +56,10 @@ void PairCGCMMCoulCut::allocate()
int n = atom->ntypes;
- cut_lj = memory->create_2d_double_array(n+1,n+1,"paircg:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"paircg:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"paircg:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"paircg:cut_coulsq");
+ memory->create(cut_lj,n+1,n+1,"paircg:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"paircg:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"paircg:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"paircg:cut_coulsq");
}
/* ---------------------------------------------------------------------- */
diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp b/src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
index b001981f7dcddcbc84efe353f1e5b732662ae5b0..441528c8ff1ac97a7bb92fe3d759a4f0fd548f58 100644
--- a/src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
+++ b/src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
@@ -42,10 +42,10 @@ PairCGCMMCoulLong::PairCGCMMCoulLong(LAMMPS *lmp) : PairCMMCommon(lmp)
PairCGCMMCoulLong::~PairCGCMMCoulLong()
{
if (allocated_coul) {
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
allocated_coul=0;
}
if (ftable) free_tables();
@@ -60,10 +60,10 @@ void PairCGCMMCoulLong::allocate()
int n = atom->ntypes;
- cut_lj = memory->create_2d_double_array(n+1,n+1,"paircg:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"paircg:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"paircg:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"paircg:cut_coulsq");
+ memory->create(cut_lj,n+1,n+1,"paircg:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"paircg:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"paircg:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"paircg:cut_coulsq");
}
/* ----------------------------------------------------------------------
diff --git a/src/USER-CG-CMM/pair_cmm_common.cpp b/src/USER-CG-CMM/pair_cmm_common.cpp
index 0198a09231908c2ea128da85ed99c0cae0d4094b..fb8bf72a8249634a270af80a574df415938a8db5 100644
--- a/src/USER-CG-CMM/pair_cmm_common.cpp
+++ b/src/USER-CG-CMM/pair_cmm_common.cpp
@@ -46,19 +46,19 @@ PairCMMCommon::PairCMMCommon(class LAMMPS *lmp) : Pair(lmp)
PairCMMCommon::~PairCMMCommon() {
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_int_array(cg_type);
+ memory->destroy(setflag);
+ memory->destroy(cg_type);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(cut);
+ memory->destroy(cutsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(offset);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
allocated = 0;
}
@@ -73,8 +73,8 @@ void PairCMMCommon::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"paircg:setflag");
- cg_type = memory->create_2d_int_array(n+1,n+1,"paircg:cg_type");
+ memory->create(setflag,n+1,n+1,"paircg:setflag");
+ memory->create(cg_type,n+1,n+1,"paircg:cg_type");
for (int i = 1; i <= n; i++) {
for (int j = i; j <= n; j++) {
setflag[i][j] = 0;
@@ -82,16 +82,16 @@ void PairCMMCommon::allocate()
}
}
- cut = memory->create_2d_double_array(n+1,n+1,"paircg:cut");
- cutsq = memory->create_2d_double_array(n+1,n+1,"paircg:cutsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"paircg:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"paircg:sigma");
- offset = memory->create_2d_double_array(n+1,n+1,"paircg:offset");
+ memory->create(cut,n+1,n+1,"paircg:cut");
+ memory->create(cutsq,n+1,n+1,"paircg:cutsq");
+ memory->create(epsilon,n+1,n+1,"paircg:epsilon");
+ memory->create(sigma,n+1,n+1,"paircg:sigma");
+ memory->create(offset,n+1,n+1,"paircg:offset");
- lj1 = memory->create_2d_double_array(n+1,n+1,"paircg:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"paircg:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"paircg:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"paircg:lj4");
+ memory->create(lj1,n+1,n+1,"paircg:lj1");
+ memory->create(lj2,n+1,n+1,"paircg:lj2");
+ memory->create(lj3,n+1,n+1,"paircg:lj3");
+ memory->create(lj4,n+1,n+1,"paircg:lj4");
}
/* ----------------------------------------------------------------------
diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp
index c54fa8cbb46851bc1903ae77ef3da1bf934bc099..4c4e1d1c3a16e1d70921755bc65c4f98637355f6 100644
--- a/src/USER-EFF/atom_vec_electron.cpp
+++ b/src/USER-EFF/atom_vec_electron.cpp
@@ -647,9 +647,7 @@ int AtomVecElectron::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/USER-EFF/compute_temp_deform_eff.cpp b/src/USER-EFF/compute_temp_deform_eff.cpp
index 5001e037732efc576a7e2039c11ed740d4b1b35c..41430e5b4e349e0835ae8a2c4452a0b8a6b344fc 100644
--- a/src/USER-EFF/compute_temp_deform_eff.cpp
+++ b/src/USER-EFF/compute_temp_deform_eff.cpp
@@ -62,7 +62,7 @@ ComputeTempDeformEff::ComputeTempDeformEff(LAMMPS *lmp, int narg, char **arg) :
ComputeTempDeformEff::~ComputeTempDeformEff()
{
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -253,10 +253,9 @@ void ComputeTempDeformEff::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/deform/eff:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/deform/eff:vbiasall");
}
double lamda[3];
diff --git a/src/USER-EFF/compute_temp_region_eff.cpp b/src/USER-EFF/compute_temp_region_eff.cpp
index 58af7098bee201000ecfc140437c01bef0dd9402..8b1ac402c7c1f665e44b9e0728c1f54e0204ae80 100644
--- a/src/USER-EFF/compute_temp_region_eff.cpp
+++ b/src/USER-EFF/compute_temp_region_eff.cpp
@@ -64,7 +64,7 @@ ComputeTempRegionEff::ComputeTempRegionEff(LAMMPS *lmp, int narg, char **arg) :
ComputeTempRegionEff::~ComputeTempRegionEff()
{
delete [] idregion;
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -215,10 +215,9 @@ void ComputeTempRegionEff::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/region:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/region:vbiasall");
}
Region *region = domain->regions[iregion];
diff --git a/src/USER-EFF/fix_langevin_eff.cpp b/src/USER-EFF/fix_langevin_eff.cpp
index 45b9eba0f7d1e285f2533a717aaec3bb1e95cfce..81cfbbc589af823d213a55ace5619f4751ca5193 100644
--- a/src/USER-EFF/fix_langevin_eff.cpp
+++ b/src/USER-EFF/fix_langevin_eff.cpp
@@ -121,10 +121,10 @@ void FixLangevinEff::post_force_tally()
// reallocate flangevin if necessary
if (atom->nmax > nmax) {
- memory->destroy_2d_double_array(flangevin);
+ memory->destroy(flangevin);
memory->sfree(erforcelangevin);
nmax = atom->nmax;
- flangevin = memory->create_2d_double_array(nmax,3,"langevin:flangevin");
+ memory->create(flangevin,nmax,3,"langevin:flangevin");
erforcelangevin = (double *)
memory->smalloc(nmax*sizeof(double),"langevin/eff:erforcelangevin");
}
diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp
index fd60f675c647fe76ff30001ec86635539142c100..63ca79d3b6d48613dd9e5f71cee341eb38b70411 100644
--- a/src/USER-EFF/pair_eff_cut.cpp
+++ b/src/USER-EFF/pair_eff_cut.cpp
@@ -59,9 +59,9 @@ PairEffCut::~PairEffCut()
memory->sfree(min_erforce);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(cut);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(cut);
}
}
@@ -677,13 +677,13 @@ void PairEffCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+ memory->create(cut,n+1,n+1,"pair:cut");
}
/* ---------------------------------------------------------------------
diff --git a/src/USER-EWALDN/pair_buck_coul.cpp b/src/USER-EWALDN/pair_buck_coul.cpp
index 4bb787257375828af09240fff38f7e504ca4f7b2..8909c19167aabc4f5c442a271bacddb9d20b90db 100644
--- a/src/USER-EWALDN/pair_buck_coul.cpp
+++ b/src/USER-EWALDN/pair_buck_coul.cpp
@@ -116,22 +116,22 @@ void PairBuckCoul::settings(int narg, char **arg)
PairBuckCoul::~PairBuckCoul()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_buck_read);
- memory->destroy_2d_double_array(cut_buck);
- memory->destroy_2d_double_array(cut_bucksq);
- memory->destroy_2d_double_array(buck_a_read);
- memory->destroy_2d_double_array(buck_a);
- memory->destroy_2d_double_array(buck_c_read);
- memory->destroy_2d_double_array(buck_c);
- memory->destroy_2d_double_array(buck_rho_read);
- memory->destroy_2d_double_array(buck_rho);
- memory->destroy_2d_double_array(buck1);
- memory->destroy_2d_double_array(buck2);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_buck_read);
+ memory->destroy(cut_buck);
+ memory->destroy(cut_bucksq);
+ memory->destroy(buck_a_read);
+ memory->destroy(buck_a);
+ memory->destroy(buck_c_read);
+ memory->destroy(buck_c);
+ memory->destroy(buck_rho_read);
+ memory->destroy(buck_rho);
+ memory->destroy(buck1);
+ memory->destroy(buck2);
+ memory->destroy(rhoinv);
+ memory->destroy(offset);
}
if (ftable) free_tables();
}
@@ -145,26 +145,26 @@ void PairBuckCoul::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_buck_read = memory->create_2d_double_array(n+1,n+1,"pair:cut_buck_read");
- cut_buck = memory->create_2d_double_array(n+1,n+1,"pair:cut_buck");
- cut_bucksq = memory->create_2d_double_array(n+1,n+1,"pair:cut_bucksq");
- buck_a_read = memory->create_2d_double_array(n+1,n+1,"pair:buck_a_read");
- buck_a = memory->create_2d_double_array(n+1,n+1,"pair:buck_a");
- buck_c_read = memory->create_2d_double_array(n+1,n+1,"pair:buck_c_read");
- buck_c = memory->create_2d_double_array(n+1,n+1,"pair:buck_c");
- buck_rho_read = memory->create_2d_double_array(n+1,n+1,"pair:buck_rho_read");
- buck_rho = memory->create_2d_double_array(n+1,n+1,"pair:buck_rho");
- buck1 = memory->create_2d_double_array(n+1,n+1,"pair:buck1");
- buck2 = memory->create_2d_double_array(n+1,n+1,"pair:buck2");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_buck_read,n+1,n+1,"pair:cut_buck_read");
+ memory->create(cut_buck,n+1,n+1,"pair:cut_buck");
+ memory->create(cut_bucksq,n+1,n+1,"pair:cut_bucksq");
+ memory->create(buck_a_read,n+1,n+1,"pair:buck_a_read");
+ memory->create(buck_a,n+1,n+1,"pair:buck_a");
+ memory->create(buck_c_read,n+1,n+1,"pair:buck_c_read");
+ memory->create(buck_c,n+1,n+1,"pair:buck_c");
+ memory->create(buck_rho_read,n+1,n+1,"pair:buck_rho_read");
+ memory->create(buck_rho,n+1,n+1,"pair:buck_rho");
+ memory->create(buck1,n+1,n+1,"pair:buck1");
+ memory->create(buck2,n+1,n+1,"pair:buck2");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/USER-EWALDN/pair_lj_coul.cpp b/src/USER-EWALDN/pair_lj_coul.cpp
index d2b84beb26f02fd93c734988c97d994bd61ee6cb..0a5190525cf85ae78688f5b9fdd2eb1de3e7ba43 100644
--- a/src/USER-EWALDN/pair_lj_coul.cpp
+++ b/src/USER-EWALDN/pair_lj_coul.cpp
@@ -114,21 +114,21 @@ void PairLJCoul::settings(int narg, char **arg)
PairLJCoul::~PairLJCoul()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj_read);
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(epsilon_read);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma_read);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj_read);
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(epsilon_read);
+ memory->destroy(epsilon);
+ memory->destroy(sigma_read);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
if (ftable) free_tables();
}
@@ -142,25 +142,25 @@ void PairLJCoul::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj_read = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj_read");
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- epsilon_read = memory->create_2d_double_array(n+1,n+1,"pair:epsilon_read");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma_read = memory->create_2d_double_array(n+1,n+1,"pair:sigma_read");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj_read,n+1,n+1,"pair:cut_lj_read");
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(epsilon_read,n+1,n+1,"pair:epsilon_read");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma_read,n+1,n+1,"pair:sigma_read");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp
index 640f10245904b7c4b3afa89ab8c815789ff0147a..913919f558b10535c70580c8d7f55fa70166363d 100644
--- a/src/USER-REAXC/fix_qeq_reax.cpp
+++ b/src/USER-REAXC/fix_qeq_reax.cpp
@@ -110,13 +110,13 @@ FixQEqReax::~FixQEqReax()
atom->delete_callback(id,0);
- memory->destroy_2d_double_array(s_hist);
- memory->destroy_2d_double_array(t_hist);
+ memory->destroy(s_hist);
+ memory->destroy(t_hist);
deallocate_storage();
deallocate_matrix();
- memory->destroy_2d_double_array(shld);
+ memory->destroy(shld);
if (!reaxflag) {
memory->sfree(chi);
@@ -315,7 +315,7 @@ void FixQEqReax::init_shielding()
int ntypes;
ntypes = atom->ntypes;
- shld = memory->create_2d_double_array(ntypes+1, ntypes+1, "qeq:shileding");
+ memory->create(shld,ntypes+1,ntypes+1,"qeq:shileding");
for( i = 1; i <= ntypes; ++i )
for( j = 1; j <= ntypes; ++j )
@@ -714,8 +714,8 @@ double FixQEqReax::memory_usage()
void FixQEqReax::grow_arrays(int nmax)
{
- s_hist = memory->grow_2d_double_array(s_hist,nmax,nprev,"qeq:s_hist");
- t_hist = memory->grow_2d_double_array(t_hist,nmax,nprev,"qeq:t_hist");
+ memory->grow(s_hist,nmax,nprev,"qeq:s_hist");
+ memory->grow(t_hist,nmax,nprev,"qeq:t_hist");
}
/* ----------------------------------------------------------------------
diff --git a/src/USER-REAXC/pair_reax_c.cpp b/src/USER-REAXC/pair_reax_c.cpp
index f30a82873f3eef1803995a654731e3ff6a8ce503..340cf804cf38d4a028d7f9baedd069b19268b3fc 100644
--- a/src/USER-REAXC/pair_reax_c.cpp
+++ b/src/USER-REAXC/pair_reax_c.cpp
@@ -122,8 +122,8 @@ PairReaxC::~PairReaxC()
// deallocate interface storage
if( allocated ) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
delete [] map;
delete [] chi;
@@ -143,8 +143,8 @@ void PairReaxC::allocate( )
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
map = new int[n+1];
chi = new double[n+1];
diff --git a/src/angle.cpp b/src/angle.cpp
index df8a80e22f8af11cfac5cbde63291e70896db8ff..2884dd7ac4b057bfce5b63f91016763504d8f888 100644
--- a/src/angle.cpp
+++ b/src/angle.cpp
@@ -40,7 +40,7 @@ Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
Angle::~Angle()
{
memory->sfree(eatom);
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -82,8 +82,8 @@ void Angle::ev_setup(int eflag, int vflag)
}
if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"bond:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"bond:vatom");
}
// zero accumulators
diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp
index 9a814dda8228a90bc2a21b3ce2cdd940c76f6551..0b5d36d15c7fecc3f12097fd70279d2265ffa05a 100644
--- a/src/atom_vec_atomic.cpp
+++ b/src/atom_vec_atomic.cpp
@@ -532,9 +532,7 @@ int AtomVecAtomic::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/atom_vec_charge.cpp b/src/atom_vec_charge.cpp
index 85ff93d2b083730d37d24cd0cda4d1526930de24..e2f6ac4c03de3cfa06d28d880ff972924c01aa1c 100644
--- a/src/atom_vec_charge.cpp
+++ b/src/atom_vec_charge.cpp
@@ -568,9 +568,7 @@ int AtomVecCharge::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int m = 1;
diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp
index 3e2cdac6566b2e1ba33d360df367fe7879bd2651..0a64c99ba23413ad1c2e2be96a39d256ea29b192 100644
--- a/src/atom_vec_hybrid.cpp
+++ b/src/atom_vec_hybrid.cpp
@@ -730,9 +730,7 @@ int AtomVecHybrid::unpack_restart(double *buf)
if (nlocal == nmax) {
grow(0);
if (atom->nextra_store)
- atom->extra = memory->grow_2d_double_array(atom->extra,nmax,
- atom->nextra_store,
- "atom:extra");
+ memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
}
int tmp = atom->nextra_store;
diff --git a/src/bond.cpp b/src/bond.cpp
index 6551297f46e12b897eee8289e541cc465a43e1ba..e30ebdc73d3a649193203561fc66273de7dda834 100644
--- a/src/bond.cpp
+++ b/src/bond.cpp
@@ -41,7 +41,7 @@ Bond::Bond(LAMMPS *lmp) : Pointers(lmp)
Bond::~Bond()
{
memory->sfree(eatom);
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -84,8 +84,8 @@ void Bond::ev_setup(int eflag, int vflag)
}
if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"bond:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"bond:vatom");
}
// zero accumulators
diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp
index a373248dad242769f74118da84b670e6f0f8b8ff..d177f716c26c88d369d5da7f89895e436be4420b 100644
--- a/src/bond_hybrid.cpp
+++ b/src/bond_hybrid.cpp
@@ -51,7 +51,7 @@ BondHybrid::~BondHybrid()
delete [] nbondlist;
delete [] maxbond;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(bondlist[i]);
+ memory->destroy(bondlist[i]);
delete [] bondlist;
}
}
@@ -80,10 +80,9 @@ void BondHybrid::compute(int eflag, int vflag)
}
for (m = 0; m < nstyles; m++) {
if (nbondlist[m] > maxbond[m]) {
- memory->destroy_2d_int_array(bondlist[m]);
+ memory->destroy(bondlist[m]);
maxbond[m] = nbondlist[m] + EXTRA;
- bondlist[m] = (int **)
- memory->create_2d_int_array(maxbond[m],3,"bond_hybrid:bondlist");
+ memory->create(bondlist[m],maxbond[m],3,"bond_hybrid:bondlist");
}
nbondlist[m] = 0;
}
@@ -179,7 +178,7 @@ void BondHybrid::settings(int narg, char **arg)
delete [] nbondlist;
delete [] maxbond;
for (int i = 0; i < nstyles; i++)
- memory->destroy_2d_int_array(bondlist[i]);
+ memory->destroy(bondlist[i]);
delete [] bondlist;
}
allocated = 0;
diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp
index b03bf40045d7bc4978eaf5dc8d30539a28376393..7a7ebf978b5276e19961b4c7eb92d915a8f32bfc 100644
--- a/src/compute_angle_local.cpp
+++ b/src/compute_angle_local.cpp
@@ -63,7 +63,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
ComputeAngleLocal::~ComputeAngleLocal()
{
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -202,9 +202,8 @@ void ComputeAngleLocal::reallocate(int n)
"bond/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "bond/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"bond/local:array");
array_local = array;
}
}
diff --git a/src/compute_atom_molecule.cpp b/src/compute_atom_molecule.cpp
index 5972da184e4aa17c8b869ee338cc2a4afb993df4..00fb93295bc12d2ecb756291865e1c4cf64261d9 100644
--- a/src/compute_atom_molecule.cpp
+++ b/src/compute_atom_molecule.cpp
@@ -146,10 +146,8 @@ ComputeAtomMolecule(LAMMPS *lmp, int narg, char **arg) :
size_vector = nmolecules;
extvector = 0;
} else {
- aone = memory->create_2d_double_array(nmolecules,nvalues,
- "atom/molecule:aone");
- array = memory->create_2d_double_array(nmolecules,nvalues,
- "atom/molecule:array");
+ memory->create(aone,nmolecules,nvalues,"atom/molecule:aone");
+ memory->create(array,nmolecules,nvalues,"atom/molecule:array");
array_flag = 1;
size_array_rows = nmolecules;
size_array_cols = nvalues;
@@ -172,8 +170,8 @@ ComputeAtomMolecule::~ComputeAtomMolecule()
memory->sfree(vone);
memory->sfree(vector);
- memory->destroy_2d_double_array(aone);
- memory->destroy_2d_double_array(array);
+ memory->destroy(aone);
+ memory->destroy(array);
memory->sfree(scratch);
}
diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp
index 379ee5662fcca91cb1c0c237fe6b7adca982d8b8..c012bed3a6e739a43e2103d11ab85f171e81e610 100644
--- a/src/compute_bond_local.cpp
+++ b/src/compute_bond_local.cpp
@@ -63,7 +63,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
ComputeBondLocal::~ComputeBondLocal()
{
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -177,9 +177,8 @@ void ComputeBondLocal::reallocate(int n)
"bond/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "bond/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"bond/local:array");
array_local = array;
}
}
diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp
index 4416671d5cf11f3719de19d11ba45a81efe757f3..0e8df48723fd8a277870be95dc90c90713f79fed 100644
--- a/src/compute_cna_atom.cpp
+++ b/src/compute_cna_atom.cpp
@@ -66,7 +66,7 @@ ComputeCNAAtom::ComputeCNAAtom(LAMMPS *lmp, int narg, char **arg) :
ComputeCNAAtom::~ComputeCNAAtom()
{
- memory->destroy_2d_int_array(nearest);
+ memory->destroy(nearest);
memory->sfree(nnearest);
memory->sfree(pattern);
}
@@ -127,12 +127,12 @@ void ComputeCNAAtom::compute_peratom()
// grow arrays if necessary
if (atom->nlocal > nmax) {
- memory->destroy_2d_int_array(nearest);
+ memory->destroy(nearest);
memory->sfree(nnearest);
memory->sfree(pattern);
nmax = atom->nmax;
- nearest = memory->create_2d_int_array(nmax,MAXNEAR,"cna:nearest");
+ memory->create(nearest,nmax,MAXNEAR,"cna:nearest");
nnearest = (int *) memory->smalloc(nmax*sizeof(int),"cna:nnearest");
pattern = (double *) memory->smalloc(nmax*sizeof(double),
"cna:cna_pattern");
diff --git a/src/compute_com_molecule.cpp b/src/compute_com_molecule.cpp
index 33236924696f69df023080b8de2181d7fe485908..235e6c3c258dc6a51c868cf6f93737048d874df5 100644
--- a/src/compute_com_molecule.cpp
+++ b/src/compute_com_molecule.cpp
@@ -43,8 +43,8 @@ ComputeCOMMolecule::ComputeCOMMolecule(LAMMPS *lmp, int narg, char **arg) :
"com/molecule:massproc");
masstotal = (double *) memory->smalloc(nmolecules*sizeof(double),
"com/molecule:masstotal");
- com = memory->create_2d_double_array(nmolecules,3,"com/molecule:com");
- comall = memory->create_2d_double_array(nmolecules,3,"com/molecule:comall");
+ memory->create(com,nmolecules,3,"com/molecule:com");
+ memory->create(comall,nmolecules,3,"com/molecule:comall");
array = comall;
// compute masstotal for each molecule
@@ -80,8 +80,8 @@ ComputeCOMMolecule::~ComputeCOMMolecule()
{
memory->sfree(massproc);
memory->sfree(masstotal);
- memory->destroy_2d_double_array(com);
- memory->destroy_2d_double_array(comall);
+ memory->destroy(com);
+ memory->destroy(comall);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp
index a8f2eddc50412e950d904074ba4ca1f5f87013b3..94563588e8be1e422dbb4f27b1ce934119e58db8 100644
--- a/src/compute_dihedral_local.cpp
+++ b/src/compute_dihedral_local.cpp
@@ -66,7 +66,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
ComputeDihedralLocal::~ComputeDihedralLocal()
{
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -219,9 +219,8 @@ void ComputeDihedralLocal::reallocate(int n)
"bond/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "bond/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"bond/local:array");
array_local = array;
}
}
diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp
index 9c5112c9449124662728ce3bda496d747bd46d29..fbd828be5ddeaa284d431ad349ff5da3d3d776d9 100644
--- a/src/compute_displace_atom.cpp
+++ b/src/compute_displace_atom.cpp
@@ -67,7 +67,7 @@ ComputeDisplaceAtom::~ComputeDisplaceAtom()
if (modify->nfix) modify->delete_fix(id_fix);
delete [] id_fix;
- memory->destroy_2d_double_array(displace);
+ memory->destroy(displace);
}
/* ---------------------------------------------------------------------- */
@@ -90,10 +90,9 @@ void ComputeDisplaceAtom::compute_peratom()
// grow local displacement array if necessary
if (atom->nlocal > nmax) {
- memory->destroy_2d_double_array(displace);
+ memory->destroy(displace);
nmax = atom->nmax;
- displace =
- memory->create_2d_double_array(nmax,4,"displace/atom:displace");
+ memory->create(displace,nmax,4,"displace/atom:displace");
array_atom = displace;
}
diff --git a/src/compute_gyration_molecule.cpp b/src/compute_gyration_molecule.cpp
index e5dfee99663bd04ee52920ed5a6659c47aad1819..d0dd1b77b6f7c310e5aaa36d0d4b86b174dd3277 100644
--- a/src/compute_gyration_molecule.cpp
+++ b/src/compute_gyration_molecule.cpp
@@ -44,9 +44,8 @@ ComputeGyrationMolecule::ComputeGyrationMolecule(LAMMPS *lmp,
"gyration/molecule:massproc");
masstotal = (double *) memory->smalloc(nmolecules*sizeof(double),
"gyration/molecule:masstotal");
- com = memory->create_2d_double_array(nmolecules,3,"gyration/molecule:com");
- comall = memory->create_2d_double_array(nmolecules,3,
- "gyration/molecule:comall");
+ memory->create(com,nmolecules,3,"gyration/molecule:com");
+ memory->create(comall,nmolecules,3,"gyration/molecule:comall");
rg = (double *) memory->smalloc(nmolecules*sizeof(double),
"gyration/molecule:rg");
rgall = (double *) memory->smalloc(nmolecules*sizeof(double),
@@ -86,8 +85,8 @@ ComputeGyrationMolecule::~ComputeGyrationMolecule()
{
memory->sfree(massproc);
memory->sfree(masstotal);
- memory->destroy_2d_double_array(com);
- memory->destroy_2d_double_array(comall);
+ memory->destroy(com);
+ memory->destroy(comall);
memory->sfree(rg);
memory->sfree(rgall);
}
diff --git a/src/compute_improper_local.cpp b/src/compute_improper_local.cpp
index 00153b66ac2a29e552c22366015e16feaa617e0a..0f22206b4205996cb4b56e8efc6e354677624449 100644
--- a/src/compute_improper_local.cpp
+++ b/src/compute_improper_local.cpp
@@ -64,7 +64,7 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS *lmp, int narg, char **arg) :
ComputeImproperLocal::~ComputeImproperLocal()
{
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -214,9 +214,8 @@ void ComputeImproperLocal::reallocate(int n)
"bond/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "bond/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"bond/local:array");
array_local = array;
}
}
diff --git a/src/compute_msd_molecule.cpp b/src/compute_msd_molecule.cpp
index ca9f099ff1430a37ce29b3e10d4889caf2cece38..7f49857719a82bd3b42f2e1034a52f2eb6f4a731 100644
--- a/src/compute_msd_molecule.cpp
+++ b/src/compute_msd_molecule.cpp
@@ -43,11 +43,10 @@ ComputeMSDMolecule::ComputeMSDMolecule(LAMMPS *lmp, int narg, char **arg) :
"msd/molecule:massproc");
masstotal = (double *) memory->smalloc(nmolecules*sizeof(double),
"msd/molecule:masstotal");
- com = memory->create_2d_double_array(nmolecules,3,"msd/molecule:com");
- comall = memory->create_2d_double_array(nmolecules,3,"msd/molecule:comall");
- cominit = memory->create_2d_double_array(nmolecules,3,
- "msd/molecule:cominit");
- msd = memory->create_2d_double_array(nmolecules,4,"msd/molecule:msd");
+ memory->create(com,nmolecules,3,"msd/molecule:com");
+ memory->create(comall,nmolecules,3,"msd/molecule:comall");
+ memory->create(cominit,nmolecules,3,"msd/molecule:cominit");
+ memory->create(msd,nmolecules,4,"msd/molecule:msd");
array = msd;
// compute masstotal for each molecule
@@ -94,10 +93,10 @@ ComputeMSDMolecule::~ComputeMSDMolecule()
{
memory->sfree(massproc);
memory->sfree(masstotal);
- memory->destroy_2d_double_array(com);
- memory->destroy_2d_double_array(comall);
- memory->destroy_2d_double_array(cominit);
- memory->destroy_2d_double_array(msd);
+ memory->destroy(com);
+ memory->destroy(comall);
+ memory->destroy(cominit);
+ memory->destroy(msd);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index cbb779b6c17f6f85158cc791a6ca3e1116d0eb80..53f21ae74232480937eebb89842007b461ebcec0 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -63,7 +63,7 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
ComputePairLocal::~ComputePairLocal()
{
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -218,9 +218,8 @@ void ComputePairLocal::reallocate(int n)
"pair/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "pair/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"pair/local:array");
array_local = array;
}
}
diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp
index 4447d9f06fe85b2d37ac159fbdadcdc8de6b6489..1e2137e1710870fcb363e719668b3af5b2e836bf 100644
--- a/src/compute_property_atom.cpp
+++ b/src/compute_property_atom.cpp
@@ -232,7 +232,7 @@ ComputePropertyAtom::~ComputePropertyAtom()
{
delete [] pack_choice;
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -251,9 +251,8 @@ void ComputePropertyAtom::compute_peratom()
"property/atom:vector");
vector_atom = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "property/atom:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"property/atom:array");
array_atom = array;
}
}
diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp
index d7c814eafb04e4658fa47be0e67e156f87ac2611..745a09af5e8003be397d32038ce62b692a406e0c 100644
--- a/src/compute_property_local.cpp
+++ b/src/compute_property_local.cpp
@@ -187,8 +187,8 @@ ComputePropertyLocal::~ComputePropertyLocal()
{
delete [] pack_choice;
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
- memory->destroy_2d_int_array(indices);
+ memory->destroy(array);
+ memory->destroy(indices);
}
/* ---------------------------------------------------------------------- */
@@ -535,14 +535,13 @@ void ComputePropertyLocal::reallocate(int n)
"property/local:vector");
vector_local = vector;
} else {
- memory->destroy_2d_double_array(array);
- array = memory->create_2d_double_array(nmax,nvalues,
- "property/local:array");
+ memory->destroy(array);
+ memory->create(array,nmax,nvalues,"property/local:array");
array_local = array;
}
- memory->destroy_2d_int_array(indices);
- indices = memory->create_2d_int_array(nmax,2,"property/local:indices");
+ memory->destroy(indices);
+ memory->create(indices,nmax,2,"property/local:indices");
}
/* ----------------------------------------------------------------------
diff --git a/src/compute_property_molecule.cpp b/src/compute_property_molecule.cpp
index 16c30ab855898fd96dd7d5acf5554b14f793d51e..de73b3b52f57d0d2504cf642a70bf05cb33b97d8 100644
--- a/src/compute_property_molecule.cpp
+++ b/src/compute_property_molecule.cpp
@@ -60,8 +60,7 @@ ComputePropertyMolecule(LAMMPS *lmp, int narg, char **arg) :
size_vector = nmolecules;
extvector = 0;
} else {
- array = memory->create_2d_double_array(nmolecules,nvalues,
- "property/molecule:array");
+ memory->create(array,nmolecules,nvalues,"property/molecule:array");
array_flag = 1;
size_array_rows = nmolecules;
size_array_cols = nvalues;
@@ -86,7 +85,7 @@ ComputePropertyMolecule::~ComputePropertyMolecule()
{
delete [] pack_choice;
memory->sfree(vector);
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp
index c4fef5a6b38c1670d6cd2159c77d63acdd571222..04848b39231628ee305f2506b32083d48d58f9ef 100644
--- a/src/compute_rdf.cpp
+++ b/src/compute_rdf.cpp
@@ -87,9 +87,9 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
for (j = jlo[m]; j <= jhi[m]; j++)
rdfpair[nrdfpair[i][j]++][i][j] = m;
- hist = memory->create_2d_double_array(npairs,nbin,"rdf:hist");
- histall = memory->create_2d_double_array(npairs,nbin,"rdf:histall");
- array = memory->create_2d_double_array(nbin,1+2*npairs,"rdf:array");
+ memory->create(hist,npairs,nbin,"rdf:hist");
+ memory->create(histall,npairs,nbin,"rdf:histall");
+ memory->create(array,nbin,1+2*npairs,"rdf:array");
typecount = new int[ntypes+1];
icount = new int[npairs];
jcount = new int[npairs];
@@ -100,14 +100,14 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) :
ComputeRDF::~ComputeRDF()
{
memory->destroy(rdfpair);
- memory->destroy_2d_int_array(nrdfpair);
+ memory->destroy(nrdfpair);
delete [] ilo;
delete [] ihi;
delete [] jlo;
delete [] jhi;
- memory->destroy_2d_double_array(hist);
- memory->destroy_2d_double_array(histall);
- memory->destroy_2d_double_array(array);
+ memory->destroy(hist);
+ memory->destroy(histall);
+ memory->destroy(array);
delete [] typecount;
delete [] icount;
delete [] jcount;
diff --git a/src/compute_stress_atom.cpp b/src/compute_stress_atom.cpp
index 62d7799f13ba38d1adea0c1fcdd7b46b7d70c613..b17d4fc6a223a967395faa3bf208bb6396ca9178 100644
--- a/src/compute_stress_atom.cpp
+++ b/src/compute_stress_atom.cpp
@@ -79,7 +79,7 @@ ComputeStressAtom::ComputeStressAtom(LAMMPS *lmp, int narg, char **arg) :
ComputeStressAtom::~ComputeStressAtom()
{
- memory->destroy_2d_double_array(stress);
+ memory->destroy(stress);
}
/* ---------------------------------------------------------------------- */
@@ -97,10 +97,9 @@ void ComputeStressAtom::compute_peratom()
// needs to be atom->nmax in length
if (atom->nmax > nmax) {
- memory->destroy_2d_double_array(stress);
+ memory->destroy(stress);
nmax = atom->nmax;
- stress =
- memory->create_2d_double_array(nmax,6,"stress/atom:stress");
+ memory->create(stress,nmax,6,"stress/atom:stress");
array_atom = stress;
}
diff --git a/src/compute_temp_deform.cpp b/src/compute_temp_deform.cpp
index a03e74e85e11934c427feee0928cf700418ee67f..665f904fdb1ec024245fe8afb7248db1da5f1bdf 100644
--- a/src/compute_temp_deform.cpp
+++ b/src/compute_temp_deform.cpp
@@ -57,7 +57,7 @@ ComputeTempDeform::ComputeTempDeform(LAMMPS *lmp, int narg, char **arg) :
ComputeTempDeform::~ComputeTempDeform()
{
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -224,10 +224,9 @@ void ComputeTempDeform::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/deform:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/deform:vbiasall");
}
double lamda[3];
diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp
index 648059319193db8bc9a6b180d874d67c1e5e1f48..96fd04037c24b6fff3d1fb610e8970f8600b9eb9 100644
--- a/src/compute_temp_partial.cpp
+++ b/src/compute_temp_partial.cpp
@@ -55,7 +55,7 @@ ComputeTempPartial::ComputeTempPartial(LAMMPS *lmp, int narg, char **arg) :
ComputeTempPartial::~ComputeTempPartial()
{
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -190,10 +190,9 @@ void ComputeTempPartial::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/partial:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/partial:vbiasall");
}
if (!xflag) {
diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp
index 6d3bb452a44b07ee2819062a163deda02e2b67bb..f15089c833209474c39fbe89842dfa6701e6d5ae 100644
--- a/src/compute_temp_profile.cpp
+++ b/src/compute_temp_profile.cpp
@@ -97,9 +97,8 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
nbins = nbinx*nbiny*nbinz;
if (nbins <= 0) error->all("Illegal compute temp/profile command");
- vbin = memory->create_2d_double_array(nbins,ncount+1,"temp/profile:vbin");
- binave = memory->create_2d_double_array(nbins,ncount+1,
- "temp/profile:binave");
+ memory->create(vbin,nbins,ncount+1,"temp/profile:vbin");
+ memory->create(binave,nbins,ncount+1,"temp/profile:binave");
maxatom = 0;
bin = NULL;
@@ -113,10 +112,10 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
ComputeTempProfile::~ComputeTempProfile()
{
- memory->destroy_2d_double_array(vbin);
- memory->destroy_2d_double_array(binave);
+ memory->destroy(vbin);
+ memory->destroy(binave);
memory->sfree(bin);
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -280,10 +279,9 @@ void ComputeTempProfile::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/profile:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/profile:vbiasall");
}
int ibin;
diff --git a/src/compute_temp_ramp.cpp b/src/compute_temp_ramp.cpp
index b9e6cdff9aa7060e6060b4c8b108dd0cb22f6474..1690e1224c2bf32060866f9a9e42a903e266c6cc 100644
--- a/src/compute_temp_ramp.cpp
+++ b/src/compute_temp_ramp.cpp
@@ -115,7 +115,7 @@ ComputeTempRamp::ComputeTempRamp(LAMMPS *lmp, int narg, char **arg) :
ComputeTempRamp::~ComputeTempRamp()
{
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -251,10 +251,9 @@ void ComputeTempRamp::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/ramp:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/ramp:vbiasall");
}
double fraction;
diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp
index c297b85d95b192f3989fe539fc47b89aa14a0ebe..b43af45de348fb8402e93ace6febf9ebe1fcb60e 100644
--- a/src/compute_temp_region.cpp
+++ b/src/compute_temp_region.cpp
@@ -56,7 +56,7 @@ ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
ComputeTempRegion::~ComputeTempRegion()
{
delete [] idregion;
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
delete [] vector;
}
@@ -190,10 +190,9 @@ void ComputeTempRegion::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
- memory->destroy_2d_double_array(vbiasall);
+ memory->destroy(vbiasall);
maxbias = atom->nmax;
- vbiasall = memory->create_2d_double_array(maxbias,3,
- "temp/region:vbiasall");
+ memory->create(vbiasall,maxbias,3,"temp/region:vbiasall");
}
Region *region = domain->regions[iregion];
diff --git a/src/dihedral.cpp b/src/dihedral.cpp
index 8f8c700e08eec00de124d347c4e8b9c5b6d77739..0adfd295e0b549fdd8180182e9134c5010311a80 100644
--- a/src/dihedral.cpp
+++ b/src/dihedral.cpp
@@ -44,7 +44,7 @@ Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp)
Dihedral::~Dihedral()
{
memory->sfree(eatom);
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -87,8 +87,8 @@ void Dihedral::ev_setup(int eflag, int vflag)
}
if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"bond:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"bond:vatom");
}
// zero accumulators
diff --git a/src/dump_cfg.cpp b/src/dump_cfg.cpp
index 1635252f183d0c185aba6ec779f6b4fb8672898b..4580e4ad6da6b571b5be5cecd03df902f2de3fac 100755
--- a/src/dump_cfg.cpp
+++ b/src/dump_cfg.cpp
@@ -101,7 +101,7 @@ DumpCFG::~DumpCFG()
delete [] typenames;
}
- if (rbuf) memory->destroy_2d_double_array(rbuf);
+ if (rbuf) memory->destroy(rbuf);
if (auxname) {
for (int i = 0; i < nfield-5; i++) delete [] auxname[i];
@@ -230,8 +230,8 @@ void DumpCFG::write_header(bigint n)
// allocate memory needed for data rearrangement on writing proc(s)
if (multiproc || me == 0) {
- if (rbuf) memory->destroy_2d_double_array(rbuf);
- rbuf = memory->create_2d_double_array(nchosen,size_one,"dump:rbuf");
+ if (rbuf) memory->destroy(rbuf);
+ memory->create(rbuf,nchosen,size_one,"dump:rbuf");
}
}
diff --git a/src/fix.cpp b/src/fix.cpp
index 2466be2d9f9d1dc71748e84bce20ae3732c28238..e2c077fbc49074542bc811a2b73591b15e9a8333 100644
--- a/src/fix.cpp
+++ b/src/fix.cpp
@@ -96,7 +96,7 @@ Fix::~Fix()
{
delete [] id;
delete [] style;
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -142,8 +142,8 @@ void Fix::v_setup(int vflag)
if (vflag_atom && atom->nlocal > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"bond:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"bond:vatom");
}
// zero accumulators
diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp
index ac7797207ea57541b5f59047971156daca3658ff..7fb769df907da82e5852dd35f32c2f17c4c70be5 100644
--- a/src/fix_adapt.cpp
+++ b/src/fix_adapt.cpp
@@ -146,10 +146,8 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
int n = atom->ntypes;
for (int m = 0; m < nadapt; m++)
- if (adapt[m].which == PAIR) {
- adapt[m].array_orig =
- memory->create_2d_double_array(n+1,n+1,"adapt:array_orig");
- }
+ if (adapt[m].which == PAIR)
+ memory->create(adapt[m].array_orig,n+1,n+1,"adapt:array_orig");
}
/* ---------------------------------------------------------------------- */
@@ -161,7 +159,7 @@ FixAdapt::~FixAdapt()
if (adapt[m].which == PAIR) {
delete [] adapt[m].pstyle;
delete [] adapt[m].pparam;
- memory->destroy_2d_double_array(adapt[m].array_orig);
+ memory->destroy(adapt[m].array_orig);
}
}
delete [] adapt;
diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp
index b51b2dcc0de84e1cc81192d75b1f0bda9ead64db..34f9adb166c7bfd4870e4c8b3c92b0e4b31f1b31 100644
--- a/src/fix_addforce.cpp
+++ b/src/fix_addforce.cpp
@@ -114,7 +114,7 @@ FixAddForce::~FixAddForce()
delete [] zstr;
delete [] estr;
delete [] idregion;
- memory->destroy_2d_double_array(sforce);
+ memory->destroy(sforce);
}
/* ---------------------------------------------------------------------- */
@@ -220,8 +220,8 @@ void FixAddForce::post_force(int vflag)
if ((varflag == ATOM || estyle == ATOM) && nlocal > maxatom) {
maxatom = atom->nmax;
- memory->destroy_2d_double_array(sforce);
- sforce = memory->create_2d_double_array(maxatom,4,"addforce:sforce");
+ memory->destroy(sforce);
+ memory->create(sforce,maxatom,4,"addforce:sforce");
}
// foriginal[0] = "potential energy" for added force
diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp
index cde0a62f615749a04f9ff63bf92a2683099c87a3..d69edf87a2db47d8a074ee68e32a8958a3ec03f1 100644
--- a/src/fix_ave_atom.cpp
+++ b/src/fix_ave_atom.cpp
@@ -211,7 +211,7 @@ FixAveAtom::~FixAveAtom()
delete [] ids;
delete [] value2index;
- memory->destroy_2d_double_array(array);
+ memory->destroy(array);
}
/* ---------------------------------------------------------------------- */
@@ -394,8 +394,7 @@ double FixAveAtom::memory_usage()
void FixAveAtom::grow_arrays(int nmax)
{
- array = memory->grow_2d_double_array(array,nmax,nvalues,
- "fix_ave/atom:array");
+ memory->grow(array,nmax,nvalues,"fix_ave/atom:array");
array_atom = array;
if (array) vector_atom = array[0];
else vector_atom = NULL;
diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp
index 4660662e04d1de24c21d2ad3747e1d878a55e58d..4fedfc6a74981f02fe7d89c9b73af62cf18384ac 100644
--- a/src/fix_ave_correlate.cpp
+++ b/src/fix_ave_correlate.cpp
@@ -263,16 +263,13 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
// set count and corr to zero since they accumulate
// also set save versions to zero in case accessed via compute_array()
- values = memory->create_2d_double_array(nrepeat,nvalues,
- "ave/correlate:values");
+ memory->create(values,nrepeat,nvalues,"ave/correlate:values");
count = (int *) memory->smalloc(nrepeat*sizeof(int),
"ave/correlate:count");
save_count = (int *) memory->smalloc(nrepeat*sizeof(int),
"ave/correlate:save_count");
- corr = memory->create_2d_double_array(nrepeat,npair,
- "ave/correlate:corr");
- save_corr = memory->create_2d_double_array(nrepeat,npair,
- "ave/correlate:save_corr");
+ memory->create(corr,nrepeat,npair,"ave/correlate:corr");
+ memory->create(save_corr,nrepeat,npair,"ave/correlate:save_corr");
int i,j;
for (i = 0; i < nrepeat; i++) {
@@ -310,11 +307,11 @@ FixAveCorrelate::~FixAveCorrelate()
for (int i = 0; i < nvalues; i++) delete [] ids[i];
delete [] ids;
- memory->destroy_2d_double_array(values);
+ memory->destroy(values);
memory->sfree(count);
memory->sfree(save_count);
- memory->destroy_2d_double_array(corr);
- memory->destroy_2d_double_array(save_corr);
+ memory->destroy(corr);
+ memory->destroy(save_corr);
if (fp && me == 0) fclose(fp);
}
diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp
index b5f94b3e7b2a02d78b9ce0dfc61eeb73059e9a1b..ce9eac48482032fa6eac539907db1b664bb80816 100644
--- a/src/fix_ave_histo.cpp
+++ b/src/fix_ave_histo.cpp
@@ -444,10 +444,8 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
vector = NULL;
maxatom = 0;
if (ave == WINDOW) {
- stats_list = memory->create_2d_double_array(nwindow,4,
- "ave/histo:stats_list");
- bin_list = memory->create_2d_double_array(nwindow,nbins,
- "ave/histo:bin_list");
+ memory->create(stats_list,nwindow,4,"histo:stats_list");
+ memory->create(bin_list,nwindow,nbins,"ave/histo:bin_list");
}
// initializations
@@ -502,8 +500,8 @@ FixAveHisto::~FixAveHisto()
delete [] bin_total;
delete [] bin_all;
delete [] coord;
- memory->destroy_2d_double_array(stats_list);
- memory->destroy_2d_double_array(bin_list);
+ memory->destroy(stats_list);
+ memory->destroy(bin_list);
memory->sfree(vector);
}
diff --git a/src/fix_ave_spatial.cpp b/src/fix_ave_spatial.cpp
index 0bb843de25d5fb283e923668bda35f2b5225bc44..52f668681597980d231e550e0ab3c01600ef227d 100644
--- a/src/fix_ave_spatial.cpp
+++ b/src/fix_ave_spatial.cpp
@@ -401,12 +401,12 @@ FixAveSpatial::~FixAveSpatial()
memory->sfree(count_many);
memory->sfree(count_sum);
memory->sfree(count_total);
- memory->destroy_2d_double_array(coord);
- memory->destroy_2d_double_array(count_list);
- memory->destroy_2d_double_array(values_one);
- memory->destroy_2d_double_array(values_many);
- memory->destroy_2d_double_array(values_sum);
- memory->destroy_2d_double_array(values_total);
+ memory->destroy(coord);
+ memory->destroy(count_list);
+ memory->destroy(values_one);
+ memory->destroy(values_many);
+ memory->destroy(values_sum);
+ memory->destroy(values_total);
memory->destroy(values_list);
}
@@ -895,23 +895,16 @@ void FixAveSpatial::setup_bins()
memory->srealloc(count_total,nbins*sizeof(double),
"ave/spatial:count_total");
- coord =
- memory->grow_2d_double_array(coord,nbins,ndim,"ave/spatial:coord");
- values_one = memory->grow_2d_double_array(values_one,nbins,nvalues,
- "ave/spatial:values_one");
- values_many = memory->grow_2d_double_array(values_many,nbins,nvalues,
- "ave/spatial:values_many");
- values_sum = memory->grow_2d_double_array(values_sum,nbins,nvalues,
- "ave/spatial:values_sum");
- values_total = memory->grow_2d_double_array(values_total,nbins,nvalues,
- "ave/spatial:values_total");
+ memory->grow(coord,nbins,ndim,"ave/spatial:coord");
+ memory->grow(values_one,nbins,nvalues,"ave/spatial:values_one");
+ memory->grow(values_many,nbins,nvalues,"ave/spatial:values_many");
+ memory->grow(values_sum,nbins,nvalues,"ave/spatial:values_sum");
+ memory->grow(values_total,nbins,nvalues,"ave/spatial:values_total");
// only allocate count and values list for ave = WINDOW
if (ave == WINDOW) {
- count_list =
- memory->create_2d_double_array(nwindow,nbins,
- "ave/spatial:count_list");
+ memory->create(count_list,nwindow,nbins,"ave/spatial:count_list");
memory->create(values_list,nwindow,nbins,nvalues,
"ave/spatial:values_list");
}
diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp
index 5b852750cf9276e4dd0eac3f0077847a77bc18af..aaeb4b543c6f9e761180d91eaab75b1f592e972a 100644
--- a/src/fix_ave_time.cpp
+++ b/src/fix_ave_time.cpp
@@ -297,12 +297,10 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
vector = new double[nvalues];
vector_total = new double[nvalues];
if (ave == WINDOW)
- vector_list = memory->create_2d_double_array(nwindow,nvalues,
- "ave/time:vector_list");
+ memory->create(vector_list,nwindow,nvalues,"ave/time:vector_list");
} else {
- array = memory->create_2d_double_array(nrows,nvalues,"ave/time:array");
- array_total = memory->create_2d_double_array(nrows,nvalues,
- "ave/time:array_total");
+ memory->create(array,nrows,nvalues,"ave/time:array");
+ memory->create(array_total,nrows,nvalues,"ave/time:array_total");
if (ave == WINDOW)
memory->create(array_list,nwindow,nrows,nvalues,"ave/time:array_list");
}
@@ -441,8 +439,8 @@ FixAveTime::~FixAveTime()
delete [] vector;
delete [] vector_total;
delete [] column;
- memory->destroy_2d_double_array(array);
- memory->destroy_2d_double_array(array_total);
+ memory->destroy(array);
+ memory->destroy(array_total);
memory->destroy(array_list);
}
diff --git a/src/fix_efield.cpp b/src/fix_efield.cpp
index 90bf8cbacc688eec02880f9c6eec8613f6ecd749..78eca23a810130d7c9f7479432b1e633df73036a 100644
--- a/src/fix_efield.cpp
+++ b/src/fix_efield.cpp
@@ -81,7 +81,7 @@ FixEfield::~FixEfield()
delete [] xstr;
delete [] ystr;
delete [] zstr;
- memory->destroy_2d_double_array(efield);
+ memory->destroy(efield);
}
/* ---------------------------------------------------------------------- */
@@ -162,8 +162,8 @@ void FixEfield::post_force(int vflag)
if (varflag == ATOM && nlocal > maxatom) {
maxatom = atom->nmax;
- memory->destroy_2d_double_array(efield);
- efield = memory->create_2d_double_array(maxatom,3,"efield:efield");
+ memory->destroy(efield);
+ memory->create(efield,maxatom,3,"efield:efield");
}
if (varflag == CONSTANT) {
diff --git a/src/fix_external.cpp b/src/fix_external.cpp
index 3bbc92fda68cf7f4f004d519bd6514b46f0120fe..449a6d07c990ba4401618a57757bf062a2e0fe11 100644
--- a/src/fix_external.cpp
+++ b/src/fix_external.cpp
@@ -38,7 +38,7 @@ FixExternal::FixExternal(LAMMPS *lmp, int narg, char **arg) :
FixExternal::~FixExternal()
{
- memory->destroy_2d_double_array(fexternal);
+ memory->destroy(fexternal);
}
/* ---------------------------------------------------------------------- */
@@ -77,9 +77,9 @@ void FixExternal::min_setup(int vflag)
void FixExternal::post_force(int vflag)
{
if (atom->nlocal > nmax) {
- memory->destroy_2d_double_array(fexternal);
+ memory->destroy(fexternal);
nmax = atom->nmax;
- fexternal = memory->create_2d_double_array(nmax,3,"external:fexternal");
+ memory->create(fexternal,nmax,3,"external:fexternal");
}
// invoke the callback in driver program
diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp
index 7c7e157d26efad88f7f5403c94c6af75b3f960a6..ae2cb4f2e57677021268dbebfc52bcb1b7ffde1b 100644
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@@ -113,7 +113,7 @@ FixLangevin::~FixLangevin()
delete [] gfactor2;
delete [] ratio;
delete [] id_temp;
- memory->destroy_2d_double_array(flangevin);
+ memory->destroy(flangevin);
}
/* ---------------------------------------------------------------------- */
@@ -285,9 +285,9 @@ void FixLangevin::post_force_tally()
// reallocate flangevin if necessary
if (atom->nmax > nmax) {
- memory->destroy_2d_double_array(flangevin);
+ memory->destroy(flangevin);
nmax = atom->nmax;
- flangevin = memory->create_2d_double_array(nmax,3,"langevin:flangevin");
+ memory->create(flangevin,nmax,3,"langevin:flangevin");
}
double **v = atom->v;
diff --git a/src/fix_move.cpp b/src/fix_move.cpp
index 43f5df7d24a47d821c3fa64b7f8299eeed441b35..5108793cf514db1a988c87dde94f5ccc88329c29 100644
--- a/src/fix_move.cpp
+++ b/src/fix_move.cpp
@@ -273,9 +273,9 @@ FixMove::~FixMove()
// delete locally stored arrays
- memory->destroy_2d_double_array(xoriginal);
- memory->destroy_2d_double_array(displace);
- memory->destroy_2d_double_array(velocity);
+ memory->destroy(xoriginal);
+ memory->destroy(displace);
+ memory->destroy(velocity);
delete [] xvarstr;
delete [] yvarstr;
@@ -561,12 +561,12 @@ void FixMove::initial_integrate(int vflag)
if ((displaceflag || velocityflag) && nlocal > maxatom) {
maxatom = atom->nmax;
if (displaceflag) {
- memory->destroy_2d_double_array(displace);
- displace = memory->create_2d_double_array(maxatom,3,"move:displace");
+ memory->destroy(displace);
+ memory->create(displace,maxatom,3,"move:displace");
}
if (velocityflag) {
- memory->destroy_2d_double_array(velocity);
- velocity = memory->create_2d_double_array(maxatom,3,"move:velocity");
+ memory->destroy(velocity);
+ memory->create(velocity,maxatom,3,"move:velocity");
}
}
@@ -843,8 +843,7 @@ void FixMove::restart(char *buf)
void FixMove::grow_arrays(int nmax)
{
- xoriginal =
- memory->grow_2d_double_array(xoriginal,nmax,3,"move:xoriginal");
+ memory->grow(xoriginal,nmax,3,"move:xoriginal");
array_atom = xoriginal;
}
diff --git a/src/fix_orient_fcc.cpp b/src/fix_orient_fcc.cpp
index c7b891ee9976d26436d66518d270cbf888362941..a64acd73a570dae434f461758f13a13f6f968b1d 100644
--- a/src/fix_orient_fcc.cpp
+++ b/src/fix_orient_fcc.cpp
@@ -159,7 +159,7 @@ FixOrientFCC::FixOrientFCC(LAMMPS *lmp, int narg, char **arg) :
nmax = atom->nmax;
nbr = (Nbr *) memory->smalloc(nmax*sizeof(Nbr),"orient/fcc:nbr");
- order = memory->create_2d_double_array(nmax,2,"orient/fcc:order");
+ memory->create(order,nmax,2,"orient/fcc:order");
array_atom = order;
// zero the array since a variable may access it before first run
@@ -175,7 +175,7 @@ FixOrientFCC::~FixOrientFCC()
delete [] xifilename;
delete [] chifilename;
memory->sfree(nbr);
- memory->destroy_2d_double_array(order);
+ memory->destroy(order);
}
/* ---------------------------------------------------------------------- */
@@ -256,9 +256,9 @@ void FixOrientFCC::post_force(int vflag)
if (nall > nmax) {
nmax = nall;
memory->sfree(nbr);
- memory->destroy_2d_double_array(order);
+ memory->destroy(order);
nbr = (Nbr *) memory->smalloc(nmax*sizeof(Nbr),"orient/fcc:nbr");
- order = memory->create_2d_double_array(nmax,2,"orient/fcc:order");
+ memory->create(order,nmax,2,"orient/fcc:order");
array_atom = order;
}
diff --git a/src/fix_read_restart.cpp b/src/fix_read_restart.cpp
index 3ed607d6835a100e528e5d4922313e658771b7ec..f0a154578b4ffa5bcbb571236bd5945b3cdc3ed5 100644
--- a/src/fix_read_restart.cpp
+++ b/src/fix_read_restart.cpp
@@ -59,7 +59,7 @@ FixReadRestart::~FixReadRestart()
// delete locally stored arrays
memory->sfree(count);
- memory->destroy_2d_double_array(extra);
+ memory->destroy(extra);
}
/* ---------------------------------------------------------------------- */
@@ -89,8 +89,7 @@ void FixReadRestart::grow_arrays(int nmax)
{
count =
(int *) memory->srealloc(count,nmax*sizeof(int),"read_restart:count");
- extra =
- memory->grow_2d_double_array(extra,nmax,nextra,"read_restart:extra");
+ memory->grow(extra,nmax,nextra,"read_restart:extra");
}
/* ----------------------------------------------------------------------
diff --git a/src/fix_rigid.cpp b/src/fix_rigid.cpp
index 6a78eedd9a736a25c32b7226b343af1874c0a63d..3003ae7774d7dc3e0d725891383867fcf29d586a 100644
--- a/src/fix_rigid.cpp
+++ b/src/fix_rigid.cpp
@@ -181,24 +181,24 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
nrigid = (int *) memory->smalloc(nbody*sizeof(int),"rigid:nrigid");
masstotal = (double *)
memory->smalloc(nbody*sizeof(double),"rigid:masstotal");
- xcm = memory->create_2d_double_array(nbody,3,"rigid:xcm");
- vcm = memory->create_2d_double_array(nbody,3,"rigid:vcm");
- fcm = memory->create_2d_double_array(nbody,3,"rigid:fcm");
- inertia = memory->create_2d_double_array(nbody,3,"rigid:inertia");
- ex_space = memory->create_2d_double_array(nbody,3,"rigid:ex_space");
- ey_space = memory->create_2d_double_array(nbody,3,"rigid:ey_space");
- ez_space = memory->create_2d_double_array(nbody,3,"rigid:ez_space");
- angmom = memory->create_2d_double_array(nbody,3,"rigid:angmom");
- omega = memory->create_2d_double_array(nbody,3,"rigid:omega");
- torque = memory->create_2d_double_array(nbody,3,"rigid:torque");
- quat = memory->create_2d_double_array(nbody,4,"rigid:quat");
+ memory->create(xcm,nbody,3,"rigid:xcm");
+ memory->create(vcm,nbody,3,"rigid:vcm");
+ memory->create(fcm,nbody,3,"rigid:fcm");
+ memory->create(inertia,nbody,3,"rigid:inertia");
+ memory->create(ex_space,nbody,3,"rigid:ex_space");
+ memory->create(ey_space,nbody,3,"rigid:ey_space");
+ memory->create(ez_space,nbody,3,"rigid:ez_space");
+ memory->create(angmom,nbody,3,"rigid:angmom");
+ memory->create(omega,nbody,3,"rigid:omega");
+ memory->create(torque,nbody,3,"rigid:torque");
+ memory->create(quat,nbody,4,"rigid:quat");
imagebody = (int *) memory->smalloc(nbody*sizeof(int),"rigid:imagebody");
- fflag = memory->create_2d_double_array(nbody,3,"rigid:fflag");
- tflag = memory->create_2d_double_array(nbody,3,"rigid:tflag");
+ memory->create(fflag,nbody,3,"rigid:fflag");
+ memory->create(tflag,nbody,3,"rigid:tflag");
- sum = memory->create_2d_double_array(nbody,6,"rigid:sum");
- all = memory->create_2d_double_array(nbody,6,"rigid:all");
- remapflag = memory->create_2d_int_array(nbody,4,"rigid:remapflag");
+ memory->create(sum,nbody,6,"rigid:sum");
+ memory->create(all,nbody,6,"rigid:all");
+ memory->create(remapflag,nbody,4,"rigid:remapflag");
// initialize force/torque flags to default = 1.0
@@ -384,33 +384,33 @@ FixRigid::~FixRigid()
// delete locally stored arrays
memory->sfree(body);
- memory->destroy_2d_double_array(displace);
+ memory->destroy(displace);
memory->sfree(eflags);
- memory->destroy_2d_double_array(dorient);
- memory->destroy_2d_double_array(qorient);
+ memory->destroy(dorient);
+ memory->destroy(qorient);
// delete nbody-length arrays
memory->sfree(nrigid);
memory->sfree(masstotal);
- memory->destroy_2d_double_array(xcm);
- memory->destroy_2d_double_array(vcm);
- memory->destroy_2d_double_array(fcm);
- memory->destroy_2d_double_array(inertia);
- memory->destroy_2d_double_array(ex_space);
- memory->destroy_2d_double_array(ey_space);
- memory->destroy_2d_double_array(ez_space);
- memory->destroy_2d_double_array(angmom);
- memory->destroy_2d_double_array(omega);
- memory->destroy_2d_double_array(torque);
- memory->destroy_2d_double_array(quat);
+ memory->destroy(xcm);
+ memory->destroy(vcm);
+ memory->destroy(fcm);
+ memory->destroy(inertia);
+ memory->destroy(ex_space);
+ memory->destroy(ey_space);
+ memory->destroy(ez_space);
+ memory->destroy(angmom);
+ memory->destroy(omega);
+ memory->destroy(torque);
+ memory->destroy(quat);
memory->sfree(imagebody);
- memory->destroy_2d_double_array(fflag);
- memory->destroy_2d_double_array(tflag);
+ memory->destroy(fflag);
+ memory->destroy(tflag);
- memory->destroy_2d_double_array(sum);
- memory->destroy_2d_double_array(all);
- memory->destroy_2d_int_array(remapflag);
+ memory->destroy(sum);
+ memory->destroy(all);
+ memory->destroy(remapflag);
}
/* ---------------------------------------------------------------------- */
@@ -693,8 +693,9 @@ void FixRigid::init()
// inertia = 3 eigenvalues = principal moments of inertia
// ex_space,ey_space,ez_space = 3 eigenvectors = principal axes of rigid body
- double **tensor = memory->create_2d_double_array(3,3,"fix_rigid:tensor");
- double **evectors = memory->create_2d_double_array(3,3,"fix_rigid:evectors");
+ double **tensor,**evectors;
+ memory->create(tensor,3,3,"fix_rigid:tensor");
+ memory->create(evectors,3,3,"fix_rigid:evectors");
int ierror;
double ez0,ez1,ez2;
@@ -756,8 +757,8 @@ void FixRigid::init()
// free temporary memory
- memory->destroy_2d_double_array(tensor);
- memory->destroy_2d_double_array(evectors);
+ memory->destroy(tensor);
+ memory->destroy(evectors);
// displace = initial atom coords in basis of principal axes
// set displace = 0.0 for atoms not in any rigid body
@@ -2156,14 +2157,12 @@ double FixRigid::memory_usage()
void FixRigid::grow_arrays(int nmax)
{
body = (int *) memory->srealloc(body,nmax*sizeof(int),"rigid:body");
- displace = memory->grow_2d_double_array(displace,nmax,3,"rigid:displace");
+ memory->grow(displace,nmax,3,"rigid:displace");
if (extended) {
eflags = (int *)
memory->srealloc(eflags,nmax*sizeof(int),"rigid:eflags");
- if (dorientflag)
- dorient = memory->grow_2d_double_array(dorient,nmax,3,"rigid:dorient");
- if (qorientflag)
- qorient = memory->grow_2d_double_array(qorient,nmax,4,"rigid:qorient");
+ if (dorientflag) memory->grow(dorient,nmax,3,"rigid:dorient");
+ if (qorientflag) memory->grow(qorient,nmax,4,"rigid:qorient");
}
}
diff --git a/src/fix_rigid_nve.cpp b/src/fix_rigid_nve.cpp
index e5a06a89baa563d88935cf36b97137e75c847b08..f99a20ff7197e4dba516ddd664bb822452d4a387 100644
--- a/src/fix_rigid_nve.cpp
+++ b/src/fix_rigid_nve.cpp
@@ -39,14 +39,14 @@ using namespace LAMMPS_NS;
FixRigidNVE::FixRigidNVE(LAMMPS *lmp, int narg, char **arg) :
FixRigid(lmp, narg, arg)
{
- conjqm = memory->create_2d_double_array(nbody,4,"rigid/nve:conjqm");
+ memory->create(conjqm,nbody,4,"rigid/nve:conjqm");
}
/* ---------------------------------------------------------------------- */
FixRigidNVE::~FixRigidNVE()
{
- memory->destroy_2d_double_array(conjqm);
+ memory->destroy(conjqm);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/fix_rigid_nvt.cpp b/src/fix_rigid_nvt.cpp
index 0f16ca1980bd7233f995a7b41025a889a0cc63d9..34f83de9ee65b2e45c9db3e339e504f2314bb9ee 100644
--- a/src/fix_rigid_nvt.cpp
+++ b/src/fix_rigid_nvt.cpp
@@ -63,7 +63,7 @@ FixRigidNVT::FixRigidNVT(LAMMPS *lmp, int narg, char **arg) :
allocate_chain();
allocate_order();
- conjqm = memory->create_2d_double_array(nbody,4,"nve_rigid:conjqm");
+ memory->create(conjqm,nbody,4,"nve_rigid:conjqm");
// one-time initialize of thermostat variables
@@ -83,7 +83,7 @@ FixRigidNVT::~FixRigidNVT()
{
deallocate_chain();
deallocate_order();
- memory->destroy_2d_double_array(conjqm);
+ memory->destroy(conjqm);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp
index 0f137e87dbedad1e47e358e378f06758232e7f72..18ab22ae7d319aaa2f686aa6665d784a31785a44 100644
--- a/src/fix_setforce.cpp
+++ b/src/fix_setforce.cpp
@@ -108,7 +108,7 @@ FixSetForce::~FixSetForce()
delete [] ystr;
delete [] zstr;
delete [] idregion;
- memory->destroy_2d_double_array(sforce);
+ memory->destroy(sforce);
}
/* ---------------------------------------------------------------------- */
@@ -216,8 +216,8 @@ void FixSetForce::post_force(int vflag)
if (varflag == ATOM && nlocal > maxatom) {
maxatom = atom->nmax;
- memory->destroy_2d_double_array(sforce);
- sforce = memory->create_2d_double_array(maxatom,3,"setforce:sforce");
+ memory->destroy(sforce);
+ memory->create(sforce,maxatom,3,"setforce:sforce");
}
foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
diff --git a/src/fix_shake.cpp b/src/fix_shake.cpp
index 83ff409112bf508fcc180d73f461caa2f78b5075..5925231173046ec6f80f51a4fbe8a36f3b12f850 100644
--- a/src/fix_shake.cpp
+++ b/src/fix_shake.cpp
@@ -219,9 +219,9 @@ FixShake::~FixShake()
// delete locally stored arrays
memory->sfree(shake_flag);
- memory->destroy_2d_int_array(shake_atom);
- memory->destroy_2d_int_array(shake_type);
- memory->destroy_2d_double_array(xshake);
+ memory->destroy(shake_atom);
+ memory->destroy(shake_type);
+ memory->destroy(xshake);
delete [] bond_flag;
delete [] angle_flag;
@@ -659,20 +659,15 @@ void FixShake::find_clusters()
memory->smalloc(nlocal*sizeof(double),"shake:npartner");
int *nshake = (int *)
memory->smalloc(nlocal*sizeof(double),"shake:nshake");
- int **partner_tag =
- memory->create_2d_int_array(nlocal,max,"shake:partner_tag");
- int **partner_mask =
- memory->create_2d_int_array(nlocal,max,"shake:partner_mask");
- int **partner_type =
- memory->create_2d_int_array(nlocal,max,"shake:partner_type");
- int **partner_massflag =
- memory->create_2d_int_array(nlocal,max,"shake:partner_massflag");
- int **partner_bondtype =
- memory->create_2d_int_array(nlocal,max,"shake:partner_bondtype");
- int **partner_shake =
- memory->create_2d_int_array(nlocal,max,"shake:partner_shake");
- int **partner_nshake =
- memory->create_2d_int_array(nlocal,max,"shake:partner_nshake");
+ int **partner_tag,**partner_mask,**partner_type,**partner_massflag;
+ int ** partner_bondtype,**partner_shake,**partner_nshake;
+ memory->create(partner_tag,nlocal,max,"shake:partner_tag");
+ memory->create(partner_mask,nlocal,max,"shake:partner_mask");
+ memory->create(partner_type,nlocal,max,"shake:partner_type");
+ memory->create(partner_massflag,nlocal,max,"shake:partner_massflag");
+ memory->create(partner_bondtype,nlocal,max,"shake:partner_bondtype");
+ memory->create(partner_shake,nlocal,max,"shake:partner_shake");
+ memory->create(partner_nshake,nlocal,max,"shake:partner_nshake");
// -----------------------------------------------------
// set npartner and partner_tag from special arrays
@@ -1121,13 +1116,13 @@ void FixShake::find_clusters()
memory->sfree(npartner);
memory->sfree(nshake);
- memory->destroy_2d_int_array(partner_tag);
- memory->destroy_2d_int_array(partner_mask);
- memory->destroy_2d_int_array(partner_type);
- memory->destroy_2d_int_array(partner_massflag);
- memory->destroy_2d_int_array(partner_bondtype);
- memory->destroy_2d_int_array(partner_shake);
- memory->destroy_2d_int_array(partner_nshake);
+ memory->destroy(partner_tag);
+ memory->destroy(partner_mask);
+ memory->destroy(partner_type);
+ memory->destroy(partner_massflag);
+ memory->destroy(partner_bondtype);
+ memory->destroy(partner_shake);
+ memory->destroy(partner_nshake);
// -----------------------------------------------------
// set bond_type and angle_type negative for SHAKE clusters
@@ -2244,12 +2239,10 @@ void FixShake::grow_arrays(int nmax)
{
shake_flag = (int *)
memory->srealloc(shake_flag,nmax*sizeof(int),"shake:shake_flag");
- shake_atom =
- memory->grow_2d_int_array(shake_atom,nmax,4,"shake:shake_atom");
- shake_type =
- memory->grow_2d_int_array(shake_type,nmax,3,"shake:shake_type");
- memory->destroy_2d_double_array(xshake);
- xshake = memory->create_2d_double_array(nmax,3,"shake:xshake");
+ memory->grow(shake_atom,nmax,4,"shake:shake_atom");
+ memory->grow(shake_type,nmax,3,"shake:shake_type");
+ memory->destroy(xshake);
+ memory->create(xshake,nmax,3,"shake:xshake");
}
/* ----------------------------------------------------------------------
diff --git a/src/fix_shear_history.cpp b/src/fix_shear_history.cpp
index 16ed40dad2a1d0c9fe175a1ec279453ed193eafd..9c8285e84e23ddcd913ba292cae05e0b41fa9118 100644
--- a/src/fix_shear_history.cpp
+++ b/src/fix_shear_history.cpp
@@ -64,7 +64,7 @@ FixShearHistory::~FixShearHistory()
// delete locally stored arrays
memory->sfree(npartner);
- memory->destroy_2d_int_array(partner);
+ memory->destroy(partner);
memory->destroy(shearpartner);
}
@@ -178,8 +178,7 @@ void FixShearHistory::grow_arrays(int nmax)
{
npartner = (int *) memory->srealloc(npartner,nmax*sizeof(int),
"shear_history:npartner");
- partner = memory->grow_2d_int_array(partner,nmax,MAXTOUCH,
- "shear_history:partner");
+ memory->grow(partner,nmax,MAXTOUCH,"shear_history:partner");
memory->grow(shearpartner,nmax,MAXTOUCH,3,"shear_history:shearpartner");
}
diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp
index b28807f1f18a54f5e627c1cc4f9c72b4a44f5ece..c36092c3f3e39b9a78ade04e48075294be054715 100644
--- a/src/fix_spring_self.cpp
+++ b/src/fix_spring_self.cpp
@@ -87,7 +87,7 @@ FixSpringSelf::~FixSpringSelf()
// delete locally stored array
- memory->destroy_2d_double_array(xoriginal);
+ memory->destroy(xoriginal);
}
/* ---------------------------------------------------------------------- */
@@ -205,8 +205,7 @@ double FixSpringSelf::memory_usage()
void FixSpringSelf::grow_arrays(int nmax)
{
- xoriginal =
- memory->grow_2d_double_array(xoriginal,nmax,3,"fix_spring/self:xoriginal");
+ memory->grow(xoriginal,nmax,3,"fix_spring/self:xoriginal");
}
/* ----------------------------------------------------------------------
diff --git a/src/fix_store_force.cpp b/src/fix_store_force.cpp
index 820ea0729e3c4408394c986acb561945110d8079..6af760c9d934d9ff172043fb4717b80f30975779 100644
--- a/src/fix_store_force.cpp
+++ b/src/fix_store_force.cpp
@@ -34,7 +34,7 @@ FixStoreForce::FixStoreForce(LAMMPS *lmp, int narg, char **arg) :
peratom_freq = 1;
nmax = atom->nmax;
- foriginal = memory->create_2d_double_array(nmax,3,"store/force:foriginal");
+ memory->create(foriginal,nmax,3,"store/force:foriginal");
array_atom = foriginal;
// zero the array since dump may access it on timestep 0
@@ -49,7 +49,7 @@ FixStoreForce::FixStoreForce(LAMMPS *lmp, int narg, char **arg) :
FixStoreForce::~FixStoreForce()
{
- memory->destroy_2d_double_array(foriginal);
+ memory->destroy(foriginal);
}
/* ---------------------------------------------------------------------- */
@@ -97,8 +97,8 @@ void FixStoreForce::post_force(int vflag)
{
if (atom->nlocal > nmax) {
nmax = atom->nmax;
- memory->destroy_2d_double_array(foriginal);
- foriginal = memory->create_2d_double_array(nmax,3,"store/force:foriginal");
+ memory->destroy(foriginal);
+ memory->create(foriginal,nmax,3,"store/force:foriginal");
array_atom = foriginal;
}
diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp
index 3ca60828671e51657aefd8c329f601ff5cfd0308..5dc2746839b613ecce0aa7e8f302a5aac1c6131d 100644
--- a/src/fix_store_state.cpp
+++ b/src/fix_store_state.cpp
@@ -333,7 +333,7 @@ FixStoreState::~FixStoreState()
delete [] value2index;
delete [] pack_choice;
- memory->destroy_2d_double_array(values);
+ memory->destroy(values);
}
/* ---------------------------------------------------------------------- */
@@ -485,8 +485,7 @@ double FixStoreState::memory_usage()
void FixStoreState::grow_arrays(int nmax)
{
- values = memory->grow_2d_double_array(values,nmax,nvalues,
- "fix_store:values");
+ memory->grow(values,nmax,nvalues,"fix_store:values");
if (nvalues == 1) {
if (nmax) vector_atom = &values[0][0];
else vector_atom = NULL;
diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp
index 496b508619e32531354b5c00a8b692fd7bead63f..b2dfd9013897e01d1811c4f6e62110112a538854 100644
--- a/src/fix_tmd.cpp
+++ b/src/fix_tmd.cpp
@@ -141,8 +141,8 @@ FixTMD::~FixTMD()
// delete locally stored arrays
- memory->destroy_2d_double_array(xf);
- memory->destroy_2d_double_array(xold);
+ memory->destroy(xf);
+ memory->destroy(xold);
}
/* ---------------------------------------------------------------------- */
@@ -350,8 +350,8 @@ double FixTMD::memory_usage()
void FixTMD::grow_arrays(int nmax)
{
- xf = memory->grow_2d_double_array(xf,nmax,3,"fix_tmd:xf");
- xold = memory->grow_2d_double_array(xold,nmax,3,"fix_tmd:xold");
+ memory->grow(xf,nmax,3,"fix_tmd:xf");
+ memory->grow(xold,nmax,3,"fix_tmd:xold");
}
/* ----------------------------------------------------------------------
diff --git a/src/fix_ttm.cpp b/src/fix_ttm.cpp
index 2379730140d0ecd026da081cdc97948ba6e12150..9dfebc91a64633b59948fd6f1e40c8c545104fbd 100644
--- a/src/fix_ttm.cpp
+++ b/src/fix_ttm.cpp
@@ -173,7 +173,7 @@ FixTTM::~FixTTM()
memory->destroy(sum_mass_vsq_all);
memory->destroy(T_electron_old);
memory->destroy(T_electron);
- memory->destroy_2d_double_array(flangevin);
+ memory->destroy(flangevin);
memory->destroy(net_energy_transfer);
memory->destroy(net_energy_transfer_all);
}
@@ -554,7 +554,7 @@ double FixTTM::memory_usage()
void FixTTM::grow_arrays(int ngrow)
{
- flangevin = memory->grow_2d_double_array(flangevin,ngrow,3,"TTM:flangevin");
+ memory->grow(flangevin,ngrow,3,"TTM:flangevin");
}
diff --git a/src/improper.cpp b/src/improper.cpp
index 8697d9f7227dc620e965693e0a897a7e65de8533..c68d088294e4fa86900e24d65107465a228e19e8 100644
--- a/src/improper.cpp
+++ b/src/improper.cpp
@@ -39,7 +39,7 @@ Improper::Improper(LAMMPS *lmp) : Pointers(lmp)
Improper::~Improper()
{
memory->sfree(eatom);
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -81,8 +81,8 @@ void Improper::ev_setup(int eflag, int vflag)
}
if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"bond:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"bond:vatom");
}
// zero accumulators
diff --git a/src/lattice.cpp b/src/lattice.cpp
index 5a7ba060c1c864ab3ffa9bf800cd00fdaf5e4080..48e749834c310935cc371dcde42f015d52ed9183 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -299,7 +299,7 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
Lattice::~Lattice()
{
- memory->destroy_2d_double_array(basis);
+ memory->destroy(basis);
}
/* ----------------------------------------------------------------------
@@ -514,7 +514,7 @@ void Lattice::box2lattice(double &x, double &y, double &z)
void Lattice::add_basis(double x, double y, double z)
{
- basis = memory->grow_2d_double_array(basis,nbasis+1,3,"lattice:basis");
+ memory->grow(basis,nbasis+1,3,"lattice:basis");
basis[nbasis][0] = x;
basis[nbasis][1] = y;
basis[nbasis][2] = z;
diff --git a/src/memory.cpp b/src/memory.cpp
index cf8f5eb4c6c0cbc1b6ac24a04cd9b257056deb35..e6d64df0cde8aafb8aea5ec0207a92288a324671 100644
--- a/src/memory.cpp
+++ b/src/memory.cpp
@@ -84,149 +84,3 @@ void Memory::fail(const char *name)
sprintf(str,"Cannot create/grow a vector/array of pointers for %s",name);
error->one(str);
}
-
-/* ----------------------------------------------------------------------
- older routines, will be deprecated at some point
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
- create a 2d double array
-------------------------------------------------------------------------- */
-
-double **Memory::create_2d_double_array(int n1, int n2, const char *name)
-
-{
- double *data = (double *) smalloc(n1*n2*sizeof(double),name);
- double **array = (double **) smalloc(n1*sizeof(double *),name);
-
- int n = 0;
- for (int i = 0; i < n1; i++) {
- array[i] = &data[n];
- n += n2;
- }
-
- return array;
-}
-
-/* ----------------------------------------------------------------------
- free a 2d double array
-------------------------------------------------------------------------- */
-
-void Memory::destroy_2d_double_array(double **array)
-
-{
- if (array == NULL) return;
- sfree(array[0]);
- sfree(array);
-}
-
-/* ----------------------------------------------------------------------
- grow or shrink 1st dim of a 2d double array
- last dim must stay the same
- if either dim is 0, return NULL
-------------------------------------------------------------------------- */
-
-double **Memory::grow_2d_double_array(double **array,
- int n1, int n2, const char *name)
-
-{
- if (array == NULL) return create_2d_double_array(n1,n2,name);
-
- double *data = (double *) srealloc(array[0],n1*n2*sizeof(double),name);
- array = (double **) srealloc(array,n1*sizeof(double *),name);
-
- int n = 0;
- for (int i = 0; i < n1; i++) {
- array[i] = &data[n];
- n += n2;
- }
-
- return array;
-}
-
-/* ----------------------------------------------------------------------
- create a 2d int array
- if either dim is 0, return NULL
-------------------------------------------------------------------------- */
-
-int **Memory::create_2d_int_array(int n1, int n2, const char *name)
-
-{
- if (n1 == 0 || n2 == 0) return NULL;
-
- int *data = (int *) smalloc(n1*n2*sizeof(int),name);
- int **array = (int **) smalloc(n1*sizeof(int *),name);
-
- int n = 0;
- for (int i = 0; i < n1; i++) {
- array[i] = &data[n];
- n += n2;
- }
-
- return array;
-}
-
-/* ----------------------------------------------------------------------
- free a 2d int array
-------------------------------------------------------------------------- */
-
-void Memory::destroy_2d_int_array(int **array)
-
-{
- if (array == NULL) return;
- sfree(array[0]);
- sfree(array);
-}
-
-/* ----------------------------------------------------------------------
- grow or shrink 1st dim of a 2d int array
- last dim must stay the same
- if either dim is 0, return NULL
-------------------------------------------------------------------------- */
-
-int **Memory::grow_2d_int_array(int **array, int n1, int n2, const char *name)
-
-{
- if (n1 == 0 || n2 == 0) {
- destroy_2d_int_array(array);
- return NULL;
- }
-
- if (array == NULL) return create_2d_int_array(n1,n2,name);
-
- int *data = (int *) srealloc(array[0],n1*n2*sizeof(int),name);
- array = (int **) srealloc(array,n1*sizeof(int *),name);
-
- int n = 0;
- for (int i = 0; i < n1; i++) {
- array[i] = &data[n];
- n += n2;
- }
-
- return array;
-}
-
-/* ----------------------------------------------------------------------
- create a 2d double array with 2nd index from n2lo to n2hi inclusive
-------------------------------------------------------------------------- */
-
-double **Memory::create_2d_double_array(int n1, int n2lo, int n2hi,
- const char *name)
-{
- int n2 = n2hi - n2lo + 1;
- double **array = create_2d_double_array(n1,n2,name);
-
- for (int i = 0; i < n1; i++) array[i] -= n2lo;
- return array;
-}
-
-/* ----------------------------------------------------------------------
- free a 2d double array with 2nd index offset
-------------------------------------------------------------------------- */
-
-void Memory::destroy_2d_double_array(double **array, int offset)
-{
- if (array == NULL) return;
- sfree(&array[0][offset]);
- sfree(array);
-}
diff --git a/src/memory.h b/src/memory.h
index c90dff2d860c144b35e9a1e2068b4c03794b22ba..f8d0eaa6c110ce463cd61d2d084ed723dd9bc808 100644
--- a/src/memory.h
+++ b/src/memory.h
@@ -28,21 +28,6 @@ class Memory : protected Pointers {
void sfree(void *);
void fail(const char *);
- // older routines, will be deprecated at some point
-
- double **create_2d_double_array(int, int, const char *);
- void destroy_2d_double_array(double **);
- double **grow_2d_double_array(double **, int, int, const char *);
-
- int **create_2d_int_array(int, int, const char *);
- void destroy_2d_int_array(int **);
- int **grow_2d_int_array(int **, int, int, const char *);
-
- double **create_2d_double_array(int, int, int, const char *);
- void destroy_2d_double_array(double **, int);
-
- // newer routines
-
/* ----------------------------------------------------------------------
create/grow/destroy vecs and multidim arrays with contiguous memory blocks
only use with primitive data types, e.g. 1d vec of ints, 2d array of doubles
diff --git a/src/pair.cpp b/src/pair.cpp
index da8191064242bb77c07c49cf4449796e74bdf8b3..333e03789c343e5f3f2a5cf1129d0d860b7258ec 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -81,7 +81,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
Pair::~Pair()
{
memory->sfree(eatom);
- memory->destroy_2d_double_array(vatom);
+ memory->destroy(vatom);
}
/* ----------------------------------------------------------------------
@@ -287,8 +287,8 @@ void Pair::ev_setup(int eflag, int vflag)
}
if (vflag_atom && atom->nmax > maxvatom) {
maxvatom = atom->nmax;
- memory->destroy_2d_double_array(vatom);
- vatom = memory->create_2d_double_array(maxvatom,6,"pair:vatom");
+ memory->destroy(vatom);
+ memory->create(vatom,maxvatom,6,"pair:vatom");
}
// zero accumulators
diff --git a/src/pair_born.cpp b/src/pair_born.cpp
index 13194d43b02bc2a2ec5a58b1bdbf2ac9add3ff4c..ba9953d8b1173d787aac41e327e27fad42577d74 100644
--- a/src/pair_born.cpp
+++ b/src/pair_born.cpp
@@ -41,20 +41,20 @@ PairBorn::PairBorn(LAMMPS *lmp) : Pair(lmp) {}
PairBorn::~PairBorn()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(rho);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(c);
- memory->destroy_2d_double_array(d);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(born1);
- memory->destroy_2d_double_array(born2);
- memory->destroy_2d_double_array(born3);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(a);
+ memory->destroy(rho);
+ memory->destroy(sigma);
+ memory->destroy(c);
+ memory->destroy(d);
+ memory->destroy(rhoinv);
+ memory->destroy(born1);
+ memory->destroy(born2);
+ memory->destroy(born3);
+ memory->destroy(offset);
}
}
@@ -153,24 +153,24 @@ void PairBorn::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- rho = memory->create_2d_double_array(n+1,n+1,"pair:rho");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- c = memory->create_2d_double_array(n+1,n+1,"pair:c");
- d = memory->create_2d_double_array(n+1,n+1,"pair:d");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- born1 = memory->create_2d_double_array(n+1,n+1,"pair:born1");
- born2 = memory->create_2d_double_array(n+1,n+1,"pair:born2");
- born3 = memory->create_2d_double_array(n+1,n+1,"pair:born3");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(rho,n+1,n+1,"pair:rho");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(c,n+1,n+1,"pair:c");
+ memory->create(d,n+1,n+1,"pair:d");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(born1,n+1,n+1,"pair:born1");
+ memory->create(born2,n+1,n+1,"pair:born2");
+ memory->create(born3,n+1,n+1,"pair:born3");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp
index 8d02aa2b84bbd4b726bd2e6d55923ce87c14fb2f..6b91e23056d5f01c21b62732f843ba3cebcec968 100644
--- a/src/pair_buck.cpp
+++ b/src/pair_buck.cpp
@@ -37,17 +37,17 @@ PairBuck::PairBuck(LAMMPS *lmp) : Pair(lmp) {}
PairBuck::~PairBuck()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(rho);
- memory->destroy_2d_double_array(c);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(buck1);
- memory->destroy_2d_double_array(buck2);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(a);
+ memory->destroy(rho);
+ memory->destroy(c);
+ memory->destroy(rhoinv);
+ memory->destroy(buck1);
+ memory->destroy(buck2);
+ memory->destroy(offset);
}
}
@@ -145,21 +145,21 @@ void PairBuck::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- rho = memory->create_2d_double_array(n+1,n+1,"pair:rho");
- c = memory->create_2d_double_array(n+1,n+1,"pair:c");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- buck1 = memory->create_2d_double_array(n+1,n+1,"pair:buck1");
- buck2 = memory->create_2d_double_array(n+1,n+1,"pair:buck2");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut_lj");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(rho,n+1,n+1,"pair:rho");
+ memory->create(c,n+1,n+1,"pair:c");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(buck1,n+1,n+1,"pair:buck1");
+ memory->create(buck2,n+1,n+1,"pair:buck2");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp
index 4d57d22186d20d503533bef67cfa1562843e7651..9fa00e13b6fb9b56dc806cbfc8695c0eb50e56a2 100644
--- a/src/pair_buck_coul_cut.cpp
+++ b/src/pair_buck_coul_cut.cpp
@@ -41,20 +41,20 @@ PairBuckCoulCut::PairBuckCoulCut(LAMMPS *lmp) : Pair(lmp) {}
PairBuckCoulCut::~PairBuckCoulCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(rho);
- memory->destroy_2d_double_array(c);
- memory->destroy_2d_double_array(rhoinv);
- memory->destroy_2d_double_array(buck1);
- memory->destroy_2d_double_array(buck2);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
+ memory->destroy(a);
+ memory->destroy(rho);
+ memory->destroy(c);
+ memory->destroy(rhoinv);
+ memory->destroy(buck1);
+ memory->destroy(buck2);
+ memory->destroy(offset);
}
}
@@ -170,24 +170,25 @@ void PairBuckCoulCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
+
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"pair:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_coulsq");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- rho = memory->create_2d_double_array(n+1,n+1,"pair:rho");
- c = memory->create_2d_double_array(n+1,n+1,"pair:c");
- rhoinv = memory->create_2d_double_array(n+1,n+1,"pair:rhoinv");
- buck1 = memory->create_2d_double_array(n+1,n+1,"pair:buck1");
- buck2 = memory->create_2d_double_array(n+1,n+1,"pair:buck2");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"pair:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"pair:cut_coulsq");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(rho,n+1,n+1,"pair:rho");
+ memory->create(c,n+1,n+1,"pair:c");
+ memory->create(rhoinv,n+1,n+1,"pair:rhoinv");
+ memory->create(buck1,n+1,n+1,"pair:buck1");
+ memory->create(buck2,n+1,n+1,"pair:buck2");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp
index f361f0ad9a0dded97bad7e5175c2eb3765efac5d..cc92998f021249fc9ac37ca805935f01a6eb45e2 100644
--- a/src/pair_coul_cut.cpp
+++ b/src/pair_coul_cut.cpp
@@ -38,11 +38,11 @@ PairCoulCut::PairCoulCut(LAMMPS *lmp) : Pair(lmp) {}
PairCoulCut::~PairCoulCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(scale);
+ memory->destroy(cut);
+ memory->destroy(scale);
}
}
@@ -137,15 +137,15 @@ void PairCoulCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- scale = memory->create_2d_double_array(n+1,n+1,"pair:scale");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(scale,n+1,n+1,"pair:scale");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp
index fe38c8692336a0e646ccba30ff13f6e750345faf..6a42decede754296456015c7f5add21e0cc5e8b0 100644
--- a/src/pair_dpd.cpp
+++ b/src/pair_dpd.cpp
@@ -49,13 +49,13 @@ PairDPD::PairDPD(LAMMPS *lmp) : Pair(lmp)
PairDPD::~PairDPD()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(a0);
- memory->destroy_2d_double_array(gamma);
- memory->destroy_2d_double_array(sigma);
+ memory->destroy(cut);
+ memory->destroy(a0);
+ memory->destroy(gamma);
+ memory->destroy(sigma);
}
if (random) delete random;
@@ -174,17 +174,17 @@ void PairDPD::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- a0 = memory->create_2d_double_array(n+1,n+1,"pair:a0");
- gamma = memory->create_2d_double_array(n+1,n+1,"pair:gamma");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(a0,n+1,n+1,"pair:a0");
+ memory->create(gamma,n+1,n+1,"pair:gamma");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp
index f59c3ad27000db99686d7e5e9175740bbce9753c..ad3d15f4aee9c70b8d1671021ef965c635b40ef1 100644
--- a/src/pair_gauss.cpp
+++ b/src/pair_gauss.cpp
@@ -50,13 +50,13 @@ PairGauss::~PairGauss()
delete [] pvector;
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(b);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(cut);
+ memory->destroy(a);
+ memory->destroy(b);
+ memory->destroy(offset);
}
}
@@ -150,17 +150,17 @@ void PairGauss::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = 1; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut_gauss");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- b = memory->create_2d_double_array(n+1,n+1,"pair:b");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut_gauss");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(b,n+1,n+1,"pair:b");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp
index 3b2e3ae9aaf3ded1a12e8ec6021ce1cfec83363e..786eb674fda599963c1e021f2a2ae5254e2cc4ae 100644
--- a/src/pair_hybrid.cpp
+++ b/src/pair_hybrid.cpp
@@ -49,10 +49,10 @@ PairHybrid::~PairHybrid()
}
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(cutghost);
- memory->destroy_2d_int_array(nmap);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(cutghost);
+ memory->destroy(nmap);
memory->destroy(map);
}
}
@@ -152,15 +152,15 @@ void PairHybrid::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
- cutghost = memory->create_2d_double_array(n+1,n+1,"pair:cutghost");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+ memory->create(cutghost,n+1,n+1,"pair:cutghost");
- nmap = memory->create_2d_int_array(n+1,n+1,"pair:nmap");
+ memory->create(nmap,n+1,n+1,"pair:nmap");
memory->create(map,n+1,n+1,nstyles,"pair:map");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
@@ -187,10 +187,10 @@ void PairHybrid::settings(int narg, char **arg)
}
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_double_array(cutghost);
- memory->destroy_2d_int_array(nmap);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(cutghost);
+ memory->destroy(nmap);
memory->destroy(map);
}
allocated = 0;
@@ -395,8 +395,8 @@ void PairHybrid::init_style()
// set iskip = 1 only if all ijskip for itype are 1
int *iskip = new int[ntypes+1];
- int **ijskip = memory->create_2d_int_array(ntypes+1,ntypes+1,
- "pair_hybrid:ijskip");
+ int **ijskip;
+ memory->create(ijskip,ntypes+1,ntypes+1,"pair_hybrid:ijskip");
for (itype = 1; itype <= ntypes; itype++)
for (jtype = 1; jtype <= ntypes; jtype++)
@@ -434,7 +434,7 @@ void PairHybrid::init_style()
neighbor->requests[i]->ijskip = ijskip;
} else {
delete [] iskip;
- memory->destroy_2d_int_array(ijskip);
+ memory->destroy(ijskip);
}
}
diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp
index f34551abd257f2949e61813c2b6e1cce9ca3c8bc..03b9a4455b04dcda308daa51fc52454aa6a358cc 100644
--- a/src/pair_lj96_cut.cpp
+++ b/src/pair_lj96_cut.cpp
@@ -49,17 +49,17 @@ PairLJ96Cut::PairLJ96Cut(LAMMPS *lmp) : Pair(lmp)
PairLJ96Cut::~PairLJ96Cut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -431,21 +431,21 @@ void PairLJ96Cut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp
index 9084ec0182015387d19364e53f4b19d37071ecfa..2c36c5401e5784bd350451240e6480c863142f19 100644
--- a/src/pair_lj_cut.cpp
+++ b/src/pair_lj_cut.cpp
@@ -49,17 +49,17 @@ PairLJCut::PairLJCut(LAMMPS *lmp) : Pair(lmp)
PairLJCut::~PairLJCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -424,21 +424,21 @@ void PairLJCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp
index 4cf101a0c472bc5aaf92fe49b405d6c49931fc45..c55c50ea6abbb3a3149927bac11d7550d215ef3d 100644
--- a/src/pair_lj_cut_coul_cut.cpp
+++ b/src/pair_lj_cut_coul_cut.cpp
@@ -38,20 +38,20 @@ PairLJCutCoulCut::PairLJCutCoulCut(LAMMPS *lmp) : Pair(lmp) {}
PairLJCutCoulCut::~PairLJCutCoulCut()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut_lj);
- memory->destroy_2d_double_array(cut_ljsq);
- memory->destroy_2d_double_array(cut_coul);
- memory->destroy_2d_double_array(cut_coulsq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut_lj);
+ memory->destroy(cut_ljsq);
+ memory->destroy(cut_coul);
+ memory->destroy(cut_coulsq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -164,24 +164,24 @@ void PairLJCutCoulCut::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut_lj = memory->create_2d_double_array(n+1,n+1,"pair:cut_lj");
- cut_ljsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_ljsq");
- cut_coul = memory->create_2d_double_array(n+1,n+1,"pair:cut_coul");
- cut_coulsq = memory->create_2d_double_array(n+1,n+1,"pair:cut_coulsq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut_lj,n+1,n+1,"pair:cut_lj");
+ memory->create(cut_ljsq,n+1,n+1,"pair:cut_ljsq");
+ memory->create(cut_coul,n+1,n+1,"pair:cut_coul");
+ memory->create(cut_coulsq,n+1,n+1,"pair:cut_coulsq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp
index 6ea9d7692edad83f57b6592c4d9194a23b22fd9e..7f255258d1b8c578cdf986e5a6893d00d32b04f6 100644
--- a/src/pair_lj_expand.cpp
+++ b/src/pair_lj_expand.cpp
@@ -36,18 +36,18 @@ PairLJExpand::PairLJExpand(LAMMPS *lmp) : Pair(lmp) {}
PairLJExpand::~PairLJExpand()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(shift);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(shift);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(offset);
}
}
@@ -146,22 +146,22 @@ void PairLJExpand::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- shift = memory->create_2d_double_array(n+1,n+1,"pair:shift");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(shift,n+1,n+1,"pair:shift");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp
index 6fb2786b08fbb1117427cfa9baca0a1bfe29b348..b2c567d949c0cb88ac6bfc1e3bfef4b29acb569e 100644
--- a/src/pair_lj_gromacs.cpp
+++ b/src/pair_lj_gromacs.cpp
@@ -42,23 +42,23 @@ PairLJGromacs::PairLJGromacs(LAMMPS *lmp) : Pair(lmp) {}
PairLJGromacs::~PairLJGromacs()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(cut_inner);
- memory->destroy_2d_double_array(cut_inner_sq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(ljsw1);
- memory->destroy_2d_double_array(ljsw2);
- memory->destroy_2d_double_array(ljsw3);
- memory->destroy_2d_double_array(ljsw4);
- memory->destroy_2d_double_array(ljsw5);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(cut_inner);
+ memory->destroy(cut_inner_sq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(ljsw1);
+ memory->destroy(ljsw2);
+ memory->destroy(ljsw3);
+ memory->destroy(ljsw4);
+ memory->destroy(ljsw5);
}
}
@@ -165,27 +165,27 @@ void PairLJGromacs::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- cut_inner = memory->create_2d_double_array(n+1,n+1,"pair:cut_inner");
- cut_inner_sq = memory->create_2d_double_array(n+1,n+1,"pair:cut_inner_sq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- ljsw1 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw1");
- ljsw2 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw2");
- ljsw3 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw3");
- ljsw4 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw4");
- ljsw5 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw5");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(cut_inner,n+1,n+1,"pair:cut_inner");
+ memory->create(cut_inner_sq,n+1,n+1,"pair:cut_inner_sq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(ljsw1,n+1,n+1,"pair:ljsw1");
+ memory->create(ljsw2,n+1,n+1,"pair:ljsw2");
+ memory->create(ljsw3,n+1,n+1,"pair:ljsw3");
+ memory->create(ljsw4,n+1,n+1,"pair:ljsw4");
+ memory->create(ljsw5,n+1,n+1,"pair:ljsw5");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp
index f5e49a5167dd19e5ff9c280fe75c34c6ea511d5c..83332d9dc5654a717d151e6af86d296ab632aaf0 100644
--- a/src/pair_lj_gromacs_coul_gromacs.cpp
+++ b/src/pair_lj_gromacs_coul_gromacs.cpp
@@ -42,20 +42,20 @@ PairLJGromacsCoulGromacs::PairLJGromacsCoulGromacs(LAMMPS *lmp) : Pair(lmp) {}
PairLJGromacsCoulGromacs::~PairLJGromacsCoulGromacs()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(ljsw1);
- memory->destroy_2d_double_array(ljsw2);
- memory->destroy_2d_double_array(ljsw3);
- memory->destroy_2d_double_array(ljsw4);
- memory->destroy_2d_double_array(ljsw5);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(ljsw1);
+ memory->destroy(ljsw2);
+ memory->destroy(ljsw3);
+ memory->destroy(ljsw4);
+ memory->destroy(ljsw5);
}
}
@@ -195,24 +195,24 @@ void PairLJGromacsCoulGromacs::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- ljsw1 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw1");
- ljsw2 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw2");
- ljsw3 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw3");
- ljsw4 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw4");
- ljsw5 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw5");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(ljsw1,n+1,n+1,"pair:ljsw1");
+ memory->create(ljsw2,n+1,n+1,"pair:ljsw2");
+ memory->create(ljsw3,n+1,n+1,"pair:ljsw3");
+ memory->create(ljsw4,n+1,n+1,"pair:ljsw4");
+ memory->create(ljsw5,n+1,n+1,"pair:ljsw5");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp
index ce67ce482ab48118c43f1f1f38d883c9382a5ba0..d49a23bbfb5928996055d05b74906179b6cc8b11 100644
--- a/src/pair_lj_smooth.cpp
+++ b/src/pair_lj_smooth.cpp
@@ -40,24 +40,24 @@ PairLJSmooth::PairLJSmooth(LAMMPS *lmp) : Pair(lmp) {}
PairLJSmooth::~PairLJSmooth()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(cut_inner);
- memory->destroy_2d_double_array(cut_inner_sq);
- memory->destroy_2d_double_array(epsilon);
- memory->destroy_2d_double_array(sigma);
- memory->destroy_2d_double_array(lj1);
- memory->destroy_2d_double_array(lj2);
- memory->destroy_2d_double_array(lj3);
- memory->destroy_2d_double_array(lj4);
- memory->destroy_2d_double_array(ljsw0);
- memory->destroy_2d_double_array(ljsw1);
- memory->destroy_2d_double_array(ljsw2);
- memory->destroy_2d_double_array(ljsw3);
- memory->destroy_2d_double_array(ljsw4);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(cut_inner);
+ memory->destroy(cut_inner_sq);
+ memory->destroy(epsilon);
+ memory->destroy(sigma);
+ memory->destroy(lj1);
+ memory->destroy(lj2);
+ memory->destroy(lj3);
+ memory->destroy(lj4);
+ memory->destroy(ljsw0);
+ memory->destroy(ljsw1);
+ memory->destroy(ljsw2);
+ memory->destroy(ljsw3);
+ memory->destroy(ljsw4);
+ memory->destroy(offset);
}
}
@@ -168,28 +168,28 @@ void PairLJSmooth::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
-
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- cut_inner = memory->create_2d_double_array(n+1,n+1,"pair:cut_inner");
- cut_inner_sq = memory->create_2d_double_array(n+1,n+1,"pair:cut_inner_sq");
- epsilon = memory->create_2d_double_array(n+1,n+1,"pair:epsilon");
- sigma = memory->create_2d_double_array(n+1,n+1,"pair:sigma");
- lj1 = memory->create_2d_double_array(n+1,n+1,"pair:lj1");
- lj2 = memory->create_2d_double_array(n+1,n+1,"pair:lj2");
- lj3 = memory->create_2d_double_array(n+1,n+1,"pair:lj3");
- lj4 = memory->create_2d_double_array(n+1,n+1,"pair:lj4");
- ljsw0 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw0");
- ljsw1 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw1");
- ljsw2 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw2");
- ljsw3 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw3");
- ljsw4 = memory->create_2d_double_array(n+1,n+1,"pair:ljsw4");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(cut_inner,n+1,n+1,"pair:cut_inner");
+ memory->create(cut_inner_sq,n+1,n+1,"pair:cut_inner_sq");
+ memory->create(epsilon,n+1,n+1,"pair:epsilon");
+ memory->create(sigma,n+1,n+1,"pair:sigma");
+ memory->create(lj1,n+1,n+1,"pair:lj1");
+ memory->create(lj2,n+1,n+1,"pair:lj2");
+ memory->create(lj3,n+1,n+1,"pair:lj3");
+ memory->create(lj4,n+1,n+1,"pair:lj4");
+ memory->create(ljsw0,n+1,n+1,"pair:ljsw0");
+ memory->create(ljsw1,n+1,n+1,"pair:ljsw1");
+ memory->create(ljsw2,n+1,n+1,"pair:ljsw2");
+ memory->create(ljsw3,n+1,n+1,"pair:ljsw3");
+ memory->create(ljsw4,n+1,n+1,"pair:ljsw4");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp
index 61a3ba1b4e82ee2eed13e2d64e5845f27374ebe1..d01e227fac36c7e61993c3e03b06fb1c3d64fb9d 100644
--- a/src/pair_morse.cpp
+++ b/src/pair_morse.cpp
@@ -36,15 +36,15 @@ PairMorse::PairMorse(LAMMPS *lmp) : Pair(lmp) {}
PairMorse::~PairMorse()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
-
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(d0);
- memory->destroy_2d_double_array(alpha);
- memory->destroy_2d_double_array(r0);
- memory->destroy_2d_double_array(morse1);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+
+ memory->destroy(cut);
+ memory->destroy(d0);
+ memory->destroy(alpha);
+ memory->destroy(r0);
+ memory->destroy(morse1);
+ memory->destroy(offset);
}
}
@@ -139,19 +139,19 @@ void PairMorse::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- d0 = memory->create_2d_double_array(n+1,n+1,"pair:d0");
- alpha = memory->create_2d_double_array(n+1,n+1,"pair:alpha");
- r0 = memory->create_2d_double_array(n+1,n+1,"pair:r0");
- morse1 = memory->create_2d_double_array(n+1,n+1,"pair:morse1");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(d0,n+1,n+1,"pair:d0");
+ memory->create(alpha,n+1,n+1,"pair:alpha");
+ memory->create(r0,n+1,n+1,"pair:r0");
+ memory->create(morse1,n+1,n+1,"pair:morse1");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp
index e9e6bd0d8e5d1dcdc1893cc2d0bb2015ce311784..c58290e35ee24694efeb4bc3d93ca5c2ecc271ee 100644
--- a/src/pair_soft.cpp
+++ b/src/pair_soft.cpp
@@ -41,11 +41,11 @@ PairSoft::PairSoft(LAMMPS *lmp) : Pair(lmp)
PairSoft::~PairSoft()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(prefactor);
- memory->destroy_2d_double_array(cut);
+ memory->destroy(prefactor);
+ memory->destroy(cut);
}
}
@@ -138,15 +138,15 @@ void PairSoft::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- prefactor = memory->create_2d_double_array(n+1,n+1,"pair:prefactor");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
+ memory->create(prefactor,n+1,n+1,"pair:prefactor");
+ memory->create(cut,n+1,n+1,"pair:cut");
}
/* ----------------------------------------------------------------------
diff --git a/src/pair_table.cpp b/src/pair_table.cpp
index 74f01659d650abe05a2b96a7482977340967ca9a..f9af94bdec4da2c282e932e76cc6ec073c6c4f18 100644
--- a/src/pair_table.cpp
+++ b/src/pair_table.cpp
@@ -59,9 +59,9 @@ PairTable::~PairTable()
memory->sfree(tables);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_int_array(tabindex);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(tabindex);
}
}
@@ -196,13 +196,13 @@ void PairTable::allocate()
allocated = 1;
int nt = atom->ntypes;
- setflag = memory->create_2d_int_array(nt+1,nt+1,"pair:setflag");
+ memory->create(setflag,nt+1,nt+1,"pair:setflag");
for (int i = 1; i <= nt; i++)
for (int j = i; j <= nt; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(nt+1,nt+1,"pair:cutsq");
- tabindex = memory->create_2d_int_array(nt+1,nt+1,"pair:tabindex");
+ memory->create(cutsq,nt+1,nt+1,"pair:cutsq");
+ memory->create(tabindex,nt+1,nt+1,"pair:tabindex");
}
/* ----------------------------------------------------------------------
@@ -230,9 +230,9 @@ void PairTable::settings(int narg, char **arg)
memory->sfree(tables);
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
- memory->destroy_2d_int_array(tabindex);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
+ memory->destroy(tabindex);
}
allocated = 0;
diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp
index 6ee2169776aeb754b669c8f835e117bb7803d60d..b755aefb6e19f229c362ac14f22d88f5483928a5 100644
--- a/src/pair_yukawa.cpp
+++ b/src/pair_yukawa.cpp
@@ -35,12 +35,12 @@ PairYukawa::PairYukawa(LAMMPS *lmp) : Pair(lmp) {}
PairYukawa::~PairYukawa()
{
if (allocated) {
- memory->destroy_2d_int_array(setflag);
- memory->destroy_2d_double_array(cutsq);
+ memory->destroy(setflag);
+ memory->destroy(cutsq);
- memory->destroy_2d_double_array(cut);
- memory->destroy_2d_double_array(a);
- memory->destroy_2d_double_array(offset);
+ memory->destroy(cut);
+ memory->destroy(a);
+ memory->destroy(offset);
}
}
@@ -137,16 +137,16 @@ void PairYukawa::allocate()
allocated = 1;
int n = atom->ntypes;
- setflag = memory->create_2d_int_array(n+1,n+1,"pair:setflag");
+ memory->create(setflag,n+1,n+1,"pair:setflag");
for (int i = 1; i <= n; i++)
for (int j = i; j <= n; j++)
setflag[i][j] = 0;
- cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
+ memory->create(cutsq,n+1,n+1,"pair:cutsq");
- cut = memory->create_2d_double_array(n+1,n+1,"pair:cut");
- a = memory->create_2d_double_array(n+1,n+1,"pair:a");
- offset = memory->create_2d_double_array(n+1,n+1,"pair:offset");
+ memory->create(cut,n+1,n+1,"pair:cut");
+ memory->create(a,n+1,n+1,"pair:a");
+ memory->create(offset,n+1,n+1,"pair:offset");
}
/* ----------------------------------------------------------------------
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 6c34cf896076ed534e1253267bfc11e9f579ec29..f2f16cefd20ff24368d096756673bd630202a448 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -140,7 +140,7 @@ void ReadRestart::command(int narg, char **arg)
int nextra = modify->read_restart(fp);
atom->nextra_store = nextra;
- atom->extra = memory->create_2d_double_array(n,nextra,"atom:extra");
+ memory->create(atom->extra,n,nextra,"atom:extra");
// single file:
// nprocs_file = # of chunks in file
@@ -271,9 +271,8 @@ void ReadRestart::command(int narg, char **arg)
// destroy temporary fix
if (nextra) {
- memory->destroy_2d_double_array(atom->extra);
- atom->extra = memory->create_2d_double_array(atom->nmax,nextra,
- "atom:extra");
+ memory->destroy(atom->extra);
+ memory->create(atom->extra,atom->nmax,nextra,"atom:extra");
int ifix = modify->find_fix("_read_restart");
FixReadRestart *fix = (FixReadRestart *) modify->fix[ifix];
int *count = fix->count;
@@ -704,12 +703,12 @@ void ReadRestart::type_arrays()
delete [] mass;
} else if (flag == SHAPE) {
- double **shape =
- memory->create_2d_double_array(atom->ntypes+1,3,"restart:shape");
+ double **shape;
+ memory->create(shape,atom->ntypes+1,3,"restart:shape");
if (me == 0) fread(&shape[1][0],sizeof(double),atom->ntypes*3,fp);
MPI_Bcast(&shape[1][0],atom->ntypes*3,MPI_DOUBLE,0,world);
atom->set_shape(shape);
- memory->destroy_2d_double_array(shape);
+ memory->destroy(shape);
} else if (flag == DIPOLE) {
double *dipole = new double[atom->ntypes+1];
diff --git a/src/special.cpp b/src/special.cpp
index e58eaea4e38094f1298451b9a925b23a5beeb940..e0ec4ce3179f25d4bf77b177b9375d1faf57240a 100644
--- a/src/special.cpp
+++ b/src/special.cpp
@@ -39,9 +39,9 @@ Special::Special(LAMMPS *lmp) : Pointers(lmp)
Special::~Special()
{
- memory->destroy_2d_int_array(onetwo);
- memory->destroy_2d_int_array(onethree);
- memory->destroy_2d_int_array(onefour);
+ memory->destroy(onetwo);
+ memory->destroy(onethree);
+ memory->destroy(onefour);
}
/* ----------------------------------------------------------------------
@@ -152,7 +152,7 @@ void Special::build()
if (logfile) fprintf(logfile," %d = max # of 1-2 neighbors\n",maxall);
}
- onetwo = memory->create_2d_int_array(nlocal,maxall,"special:onetwo");
+ memory->create(onetwo,nlocal,maxall,"special:onetwo");
// count = accumulating counter
@@ -303,7 +303,7 @@ void Special::build()
if (logfile) fprintf(logfile," %d = max # of 1-3 neighbors\n",maxall);
}
- onethree = memory->create_2d_int_array(nlocal,maxall,"special:onethree");
+ memory->create(onethree,nlocal,maxall,"special:onethree");
// nbufmax = largest buffer needed to hold info from any proc
// info for each atom = 4 scalars + list of 1-2 neighs + list of 1-3 neighs
@@ -470,7 +470,7 @@ void Special::build()
if (logfile) fprintf(logfile," %d = max # of 1-4 neighbors\n",maxall);
}
- onefour = memory->create_2d_int_array(nlocal,maxall,"special:onefour");
+ memory->create(onefour,nlocal,maxall,"special:onefour");
// nbufmax = largest buffer needed to hold info from any proc
// info for each atom = 3 scalars + list of 1-3 neighs + list of 1-4 neighs
@@ -637,10 +637,9 @@ void Special::combine()
fprintf(logfile," %d = max # of special neighbors\n",atom->maxspecial);
}
- memory->destroy_2d_int_array(atom->special);
+ memory->destroy(atom->special);
- atom->special =
- memory->create_2d_int_array(atom->nmax,atom->maxspecial,"atom:special");
+ memory->create(atom->special,atom->nmax,atom->maxspecial,"atom:special");
atom->avec->grow_reset();
int **special = atom->special;
@@ -747,8 +746,8 @@ void Special::angle_trim()
int maxcount = 0;
for (i = 0; i < nlocal; i++)
maxcount = MAX(maxcount,nspecial[i][1]-nspecial[i][0]);
- int **dflag =
- memory->create_2d_int_array(nlocal,maxcount,"special::dflag");
+ int **dflag;
+ memory->create(dflag,nlocal,maxcount,"special::dflag");
for (i = 0; i < nlocal; i++) {
n = nspecial[i][1] - nspecial[i][0];
@@ -842,7 +841,7 @@ void Special::angle_trim()
// clean up
- memory->destroy_2d_int_array(dflag);
+ memory->destroy(dflag);
delete [] buf;
delete [] bufcopy;
@@ -922,8 +921,8 @@ void Special::dihedral_trim()
int maxcount = 0;
for (i = 0; i < nlocal; i++)
maxcount = MAX(maxcount,nspecial[i][2]-nspecial[i][1]);
- int **dflag =
- memory->create_2d_int_array(nlocal,maxcount,"special::dflag");
+ int **dflag;
+ memory->create(dflag,nlocal,maxcount,"special::dflag");
for (i = 0; i < nlocal; i++) {
n = nspecial[i][2] - nspecial[i][1];
@@ -1003,7 +1002,7 @@ void Special::dihedral_trim()
// clean up
- memory->destroy_2d_int_array(dflag);
+ memory->destroy(dflag);
delete [] buf;
delete [] bufcopy;
diff --git a/src/velocity.cpp b/src/velocity.cpp
index efef0c9653cf4aef4c22f334b85600910d3e3e87..7a8505faa722cad8a4280be72bcaedf15ea032a7 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -164,7 +164,8 @@ void Velocity::create(double t_desired, int seed)
double **v = atom->v;
int nlocal = atom->nlocal;
- double **vhold = memory->create_2d_double_array(nlocal,3,"velocity:vnew");
+ double **vhold;
+ memory->create(vhold,nlocal,3,"velocity:vnew");
for (i = 0; i < nlocal; i++) {
vhold[i][0] = v[i][0];
@@ -332,7 +333,7 @@ void Velocity::create(double t_desired, int seed)
// free local memory
// if temperature was created, delete it
- memory->destroy_2d_double_array(vhold);
+ memory->destroy(vhold);
delete random;
if (tflag) delete temperature;
}
@@ -437,8 +438,7 @@ void Velocity::set(int narg, char **arg)
// allocate vfield array if necessary
double **vfield = NULL;
- if (varflag == ATOM)
- vfield = memory->create_2d_double_array(atom->nlocal,3,"velocity:vfield");
+ if (varflag == ATOM) memory->create(vfield,atom->nlocal,3,"velocity:vfield");
// set velocities via constants
@@ -499,7 +499,7 @@ void Velocity::set(int narg, char **arg)
delete [] xstr;
delete [] ystr;
delete [] zstr;
- memory->destroy_2d_double_array(vfield);
+ memory->destroy(vfield);
}
/* ----------------------------------------------------------------------