From 844858d3a73e6b8cf75a4b9370a212d8fcb8420c Mon Sep 17 00:00:00 2001
From: "Steven J. Plimpton" <sjplimp@singsing.sandia.gov>
Date: Thu, 3 May 2018 16:59:17 -0600
Subject: [PATCH] 2nd set of updates
---
doc/src/fix_modify.txt | 47 ++++++++-------
doc/src/fix_poems.txt | 22 +++----
doc/src/fix_rigid.txt | 12 ++--
src/RIGID/fix_rigid.cpp | 88 +++++++++++----------------
src/RIGID/fix_rigid.h | 6 +-
src/RIGID/fix_rigid_nh.cpp | 8 ++-
src/RIGID/fix_rigid_nh_small.cpp | 6 +-
src/RIGID/fix_rigid_small.cpp | 89 ++++++++++------------------
src/RIGID/fix_rigid_small.h | 6 +-
src/USER-OMP/fix_rigid_omp.h | 1 -
src/USER-OMP/fix_rigid_small_omp.cpp | 1 +
11 files changed, 127 insertions(+), 159 deletions(-)
diff --git a/doc/src/fix_modify.txt b/doc/src/fix_modify.txt
index be3a1669d2..308bba1ac3 100644
--- a/doc/src/fix_modify.txt
+++ b/doc/src/fix_modify.txt
@@ -23,7 +23,7 @@ keyword = {temp} or {press} or {energy} or {virial} or {respa} or {dynamic/dof}
{dynamic/dof} value = {yes} or {no}
yes/no = do or do not recompute the number of degrees of freedom (DOF) contributing to the temperature
{bodyforces} value = {early} or {late}
- early/late = compute per-rigid-body forces and torques at post_force (early) or at final_integrate (late) :pre
+ early/late = compute rigid-body forces/torques early or late in the timestep :pre
:ule
[Examples:]
@@ -86,9 +86,8 @@ if you want virial contribution of the fix to be part of the
relaxation criteria, although this seems unlikely.
NOTE: This option is only supported by fixes that explicitly say
-so. For some of these (e.g. the
-"fix shake"_fix_shake.html command) the default setting is
-{virial yes}, for others it is {virial no}.
+so. For some of these (e.g. the "fix shake"_fix_shake.html command)
+the default setting is {virial yes}, for others it is {virial no}.
For fixes that set or modify forces, it may be possible to select at
which "r-RESPA"_run_style.html level the fix operates via the {respa}
@@ -122,22 +121,27 @@ compute to calculate temperature. See the "compute_modify
dynamic/dof"_compute_modify.html command for a similar way to insure
correct temperature normalization for those thermostats.
-The {bodyforces} keyword determines whether the resultant forces and
-torques acting on rigid bodies are computed at the post-force stage of
-a time step (i.e. right after per-atom forces have been computed and
-communicated among processors) or at the final-integrate stage (i.e.
-after all other fixes have finished their post-force tasks). This option
-applies for "fix rigid"_fix_rigid.html and "fix rigid/small"_fix_rigid.html,
-along with their nve, nvt, npt, and nph versions. It also applies for
-"fix poems"_fix_poems.html. Few fix styles actually do post-force
-tasks. Some of them cause modifications in the computed per-atoms forces
-(e.g. "fix addforce"_fix_addforce.html, "fix setforce"_fix_setforce.html,
-"fix spring"_fix_spring.html, "fix shake"_fix_shake.html, and
-"fix rattle"_fix_shake.html). These tasks are executed sequentially for
-each fix, following the order of their definitions in the input script.
-Therefore, once the {bodyforces} keyword is set as {early} for a given
-rigid-style fix, per-atom force modifications done by other fixes defined
-afterwards will have no effect on the per-body forces/torques it computes.
+The {bodyforces} keyword determines whether the forces and torques
+acting on rigid bodies are computed {early} at the post-force stage of
+each timestep (right after per-atom forces have been computed and
+communicated among processors), or {late} at the final-integrate stage
+of each timestep (after any other fixes have finished their post-force
+tasks). Only the rigid-body integration fixes use this option, which
+includes "fix rigid"_fix_rigid.html and "fix
+rigid/small"_fix_rigid.html, and their variants, and also "fix
+poems"_fix_poems.html.
+
+The default is {late}. If there are other fixes that add forces to
+individual atoms, then the rigid-body constraints will include these
+forces when time-integrating the rigid bodies. If {early} is
+specified, then new fixes can be written that use or modify the
+per-body force and torque, before time-integration of the rigid bodies
+occurs. Note however this has the side effect, that fixes such as
+"fix addforce"_fix_addforce.html, "fix setforce"_fix_setforce.html,
+"fix spring"_fix_spring.html, which add forces to individual atoms
+will have no effect on the motion of the rigid bodies if they are
+specified in the input script after the fix rigid command. LAMMPS
+will give a warning if that is the case.
[Restrictions:] none
@@ -149,4 +153,5 @@ pressure"_compute_pressure.html, "thermo_style"_thermo_style.html
[Default:]
The option defaults are temp = ID defined by fix, press = ID defined
-by fix, energy = no, virial = varies by fix style, respa = 0, bodyforces = late.
\ No newline at end of file
+by fix, energy = no, virial = different for each fix style, respa = 0,
+bodyforce = late.
diff --git a/doc/src/fix_poems.txt b/doc/src/fix_poems.txt
index f949acc433..03abc058b8 100644
--- a/doc/src/fix_poems.txt
+++ b/doc/src/fix_poems.txt
@@ -105,17 +105,19 @@ off, and there is only a single fix poems defined.
[Restart, fix_modify, output, run start/stop, minimize info:]
-The "fix_modify"_fix_modify.html {bodyforces} option is supported by
-this fix style to set whether per-body forces and torques are
-computed early or late in a time step, i.e., at the post-force stage
-or at the final-integrate stage, respectively.
-
No information about this fix is written to "binary restart
-files"_restart.html. No global or per-atom quantities are stored
-by this fix for access by various "output
-commands"_Section_howto.html#howto_15. No parameter of this fix can
-be used with the {start/stop} keywords of the "run"_run.html command.
-This fix is not invoked during "energy minimization"_minimize.html.
+files"_restart.html.
+
+The "fix_modify"_fix_modify.html {bodyforces} option is supported by
+this fix style to set whether per-body forces and torques are computed
+early or late in a timestep, i.e. at the post-force stage or at the
+final-integrate stage, respectively.
+
+No global or per-atom quantities are stored by this fix for access by
+various "output commands"_Section_howto.html#howto_15. No parameter
+of this fix can be used with the {start/stop} keywords of the
+"run"_run.html command. This fix is not invoked during "energy
+minimization"_minimize.html.
[Restrictions:]
diff --git a/doc/src/fix_rigid.txt b/doc/src/fix_rigid.txt
index 9995a77ae2..ec7ed4f2b1 100644
--- a/doc/src/fix_rigid.txt
+++ b/doc/src/fix_rigid.txt
@@ -223,10 +223,10 @@ via several options.
NOTE: With the {rigid/small} styles, which require that {bodystyle} be
specified as {molecule} or {custom}, you can define a system that has
-no rigid bodies initially. This is useful when you are using the {mol}
-keyword in conjunction with another fix that is adding rigid bodies
-on-the-fly as molecules, such as "fix deposit"_fix_deposit.html or
-"fix pour"_fix_pour.html.
+no rigid bodies initially. This is useful when you are using the
+{mol} keyword in conjunction with another fix that is adding rigid
+bodies on-the-fly as molecules, such as "fix deposit"_fix_deposit.html
+or "fix pour"_fix_pour.html.
For bodystyle {single} the entire fix group of atoms is treated as one
rigid body. This option is only allowed for the {rigid} styles.
@@ -744,8 +744,8 @@ instantaneous temperature.
The "fix_modify"_fix_modify.html {bodyforces} option is supported by
all rigid styles to set whether per-body forces and torques are
-computed early or late in a time step, i.e., at the post-force stage
-or at the final-integrate stage, respectively.
+computed early or late in a timestep, i.e. at the post-force stage or
+at the final-integrate stage or the timestep, respectively.
The 2 NVE rigid fixes compute a global scalar which can be accessed by
various "output commands"_Section_howto.html#howto_15. The scalar
diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp
index 5d9ed88e31..73a8e487ce 100644
--- a/src/RIGID/fix_rigid.cpp
+++ b/src/RIGID/fix_rigid.cpp
@@ -174,7 +174,8 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
MPI_Allreduce(&vmin,&minval,1,MPI_INT,MPI_MIN,world);
molecule = new tagint[nlocal];
for (i = 0; i < nlocal; i++)
- if (mask[i] & groupbit) molecule[i] = (tagint)((tagint)value[i] - minval + 1);
+ if (mask[i] & groupbit)
+ molecule[i] = (tagint)((tagint)value[i] - minval + 1);
delete[] value;
} else error->all(FLERR,"Unsupported fix rigid custom property");
} else {
@@ -624,7 +625,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
setupflag = 0;
- // compute per body forces and torques inside final_integrate() by default
+ // compute per body forces and torques at final_integrate() by default
earlyflag = 0;
@@ -688,29 +689,12 @@ FixRigid::~FixRigid()
/* ---------------------------------------------------------------------- */
-int FixRigid::modify_param(int narg, char **arg)
-{
- if (strcmp(arg[0],"bodyforces") == 0) {
- if (narg < 2)
- error->all(FLERR,"Illegal fix_modify command");
- if (strcmp(arg[1],"early") == 0)
- earlyflag = 1;
- else if (strcmp(arg[1],"late") == 0)
- earlyflag = 0;
- else
- error->all(FLERR,"Illegal fix_modify command");
- return 2;
- } else return 0;
-}
-
-/* ---------------------------------------------------------------------- */
-
int FixRigid::setmask()
{
int mask = 0;
mask |= INITIAL_INTEGRATE;
mask |= FINAL_INTEGRATE;
- mask |= POST_FORCE;
+ if (langflag || earlyflag) mask |= POST_FORCE;
mask |= PRE_NEIGHBOR;
mask |= INITIAL_INTEGRATE_RESPA;
mask |= FINAL_INTEGRATE_RESPA;
@@ -732,19 +716,25 @@ void FixRigid::init()
avec_tri = (AtomVecTri *) atom->style_match("tri");
// warn if more than one rigid fix
+ // if earlyflag, warn if any post-force fixes come after POEMS fix
int count = 0;
- int myindex, myposition;
for (i = 0; i < modify->nfix; i++)
- if (strcmp(modify->fix[i]->style,"rigid") == 0) {
- count++;
- if (strcmp(modify->fix[i]->id,this->id) == 0) {
- myindex = i;
- myposition = count;
+ if (modify->fix[i]->rigid_flag) count++;
+ if (count > 1 && me == 0) error->warning(FLERR,"More than one fix rigid");
+
+ if (earlyflag) {
+ int rflag = 0;
+ for (i = 0; i < modify->nfix; i++) {
+ if (modify->fix[i]->rigid_flag) rflag = 1;
+ if (rflag && (modify->fmask[i] & POST_FORCE) &&
+ !modify->fix[i]->rigid_flag) {
+ char str[128];
+ sprintf(str,"Fix %d alters forces after fix rigid",modify->fix[i]->id);
+ error->warning(FLERR,str);
}
}
- if (count > 1 && myposition == 1 && comm->me == 0)
- error->warning(FLERR,"More than one fix rigid");
+ }
// error if npt,nph fix comes before rigid fix
@@ -758,29 +748,6 @@ void FixRigid::init()
error->all(FLERR,"Rigid fix must come before NPT/NPH fix");
}
- // warn if fix rigid preceeds non-rigid fixes with post-force tasks
- // when computing body forces and torques in post_force() instead of final_integrate()
-
- if (earlyflag) {
- int has_post_force[modify->nfix - myindex];
- count = 0;
- for (i = myindex + 1; i < modify->nfix; i++)
- if ( (modify->fmask[i] & POST_FORCE) && (!modify->fix[i]->rigid_flag) )
- has_post_force[count++] = i;
- if (count) {
- FILE *p[2] = {screen, logfile};
- for (int j = 0; j < 2; j++)
- if (p[j]) {
- fprintf(p[j],"WARNING: fix %s %s",id,style);
- fprintf(p[j]," will add up forces before they are handled by:\n");
- for (int k = 0; k < count; k++) {
- Fix *fix = modify->fix[has_post_force[k]];
- fprintf(p[j]," => fix %s %s\n",fix->id,fix->style);
- }
- }
- }
- }
-
// timestep info
dtv = update->dt;
@@ -993,7 +960,7 @@ void FixRigid::initial_integrate(int vflag)
apply Langevin thermostat to all 6 DOF of rigid bodies
computed by proc 0, broadcast to other procs
unlike fix langevin, this stores extra force in extra arrays,
- which are added in when one calculates a new fcm/torque
+ which are added in when final_integrate() calculates a new fcm/torque
------------------------------------------------------------------------- */
void FixRigid::apply_langevin_thermostat()
@@ -1063,6 +1030,7 @@ void FixRigid::enforce2d()
void FixRigid::compute_forces_and_torques()
{
int i,ibody;
+ double dtfm;
// sum over atoms to get force and torque on rigid body
@@ -1125,6 +1093,7 @@ void FixRigid::compute_forces_and_torques()
}
}
+
/* ---------------------------------------------------------------------- */
void FixRigid::post_force(int vflag)
@@ -2660,6 +2629,21 @@ void FixRigid::zero_rotation()
set_v();
}
+/* ---------------------------------------------------------------------- */
+
+int FixRigid::modify_param(int narg, char **arg)
+{
+ if (strcmp(arg[0],"bodyforces") == 0) {
+ if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+ if (strcmp(arg[1],"early") == 0) earlyflag = 1;
+ else if (strcmp(arg[1],"late") == 0) earlyflag = 0;
+ else error->all(FLERR,"Illegal fix_modify command");
+ return 2;
+ }
+
+ return 0;
+}
+
/* ----------------------------------------------------------------------
return temperature of collection of rigid bodies
non-active DOF are removed by fflag/tflag and in tfactor
diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h
index 0e1936a816..507e4c7553 100644
--- a/src/RIGID/fix_rigid.h
+++ b/src/RIGID/fix_rigid.h
@@ -28,7 +28,6 @@ class FixRigid : public Fix {
public:
FixRigid(class LAMMPS *, int, char **);
virtual ~FixRigid();
- int modify_param(int, char **);
virtual int setmask();
virtual void init();
virtual void setup(int);
@@ -55,6 +54,7 @@ class FixRigid : public Fix {
void reset_dt();
void zero_momentum();
void zero_rotation();
+ virtual int modify_param(int, char **);
virtual void *extract(const char*, int &);
double extract_ke();
double extract_erotational();
@@ -70,7 +70,7 @@ class FixRigid : public Fix {
char *infile; // file to read rigid body attributes from
int rstyle; // SINGLE,MOLECULE,GROUP
int setupflag; // 1 if body properties are setup, else 0
- int earlyflag; // 1 if forces and torques are computed at post_force()
+ int earlyflag; // 1 if forces/torques computed at post_force()
int dimension; // # of dimensions
int nbody; // # of rigid bodies
@@ -146,7 +146,7 @@ class FixRigid : public Fix {
void setup_bodies_static();
void setup_bodies_dynamic();
void apply_langevin_thermostat();
- virtual void compute_forces_and_torques();
+ void compute_forces_and_torques();
void readfile(int, double *, double **, double **, double **,
imageint *, int *);
};
diff --git a/src/RIGID/fix_rigid_nh.cpp b/src/RIGID/fix_rigid_nh.cpp
index 672f6db832..96c44d15b5 100644
--- a/src/RIGID/fix_rigid_nh.cpp
+++ b/src/RIGID/fix_rigid_nh.cpp
@@ -591,9 +591,9 @@ void FixRigidNH::initial_integrate(int vflag)
void FixRigidNH::final_integrate()
{
- int ibody;
+ int i,ibody;
double tmp,scale_t[3],scale_r;
- double dtfm;
+ double dtfm,xy,xz,yz;
double mbody[3],tbody[3],fquat[4];
double dtf2 = dtf * 2.0;
@@ -1249,7 +1249,9 @@ int FixRigidNH::modify_param(int narg, char **arg)
if (pressure->pressflag == 0)
error->all(FLERR,"Fix_modify pressure ID does not compute pressure");
return 2;
- } else return FixRigid::modify_param(narg,arg);
+ }
+
+ return FixRigid::modify_param(narg,arg);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp
index c97c1e6d1a..135a1fb4bd 100644
--- a/src/RIGID/fix_rigid_nh_small.cpp
+++ b/src/RIGID/fix_rigid_nh_small.cpp
@@ -618,7 +618,7 @@ void FixRigidNHSmall::initial_integrate(int vflag)
void FixRigidNHSmall::final_integrate()
{
- int ibody;
+ int i,ibody;
double tmp,scale_t[3],scale_r;
double dtfm;
double mbody[3],tbody[3],fquat[4];
@@ -1367,7 +1367,9 @@ int FixRigidNHSmall::modify_param(int narg, char **arg)
if (pressure->pressflag == 0)
error->all(FLERR,"Fix_modify pressure ID does not compute pressure");
return 2;
- } else return FixRigidSmall::modify_param(narg,arg);
+ }
+
+ return FixRigidSmall::modify_param(narg,arg);
}
/* ---------------------------------------------------------------------- */
diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp
index a079f30967..5533098318 100644
--- a/src/RIGID/fix_rigid_small.cpp
+++ b/src/RIGID/fix_rigid_small.cpp
@@ -535,29 +535,12 @@ FixRigidSmall::~FixRigidSmall()
/* ---------------------------------------------------------------------- */
-int FixRigidSmall::modify_param(int narg, char **arg)
-{
- if (strcmp(arg[0],"bodyforces") == 0) {
- if (narg < 2)
- error->all(FLERR,"Illegal fix_modify command");
- if (strcmp(arg[1],"early") == 0)
- earlyflag = 1;
- else if (strcmp(arg[1],"late") == 0)
- earlyflag = 0;
- else
- error->all(FLERR,"Illegal fix_modify command");
- return 2;
- } else return 0;
-}
-
-/* ---------------------------------------------------------------------- */
-
int FixRigidSmall::setmask()
{
int mask = 0;
mask |= INITIAL_INTEGRATE;
mask |= FINAL_INTEGRATE;
- mask |= POST_FORCE;
+ if (langflag || earlyflag) mask |= POST_FORCE;
mask |= PRE_NEIGHBOR;
mask |= INITIAL_INTEGRATE_RESPA;
mask |= FINAL_INTEGRATE_RESPA;
@@ -575,17 +558,22 @@ void FixRigidSmall::init()
// warn if more than one rigid fix
int count = 0;
- int myindex, myposition;
for (i = 0; i < modify->nfix; i++)
- if (strcmp(modify->fix[i]->style,"rigid") == 0) {
- count++;
- if (strcmp(modify->fix[i]->id,this->id) == 0) {
- myindex = i;
- myposition = count;
+ if (modify->fix[i]->rigid_flag) count++;
+ if (count > 1 && me == 0) error->warning(FLERR,"More than one fix rigid");
+
+ if (earlyflag) {
+ int rflag = 0;
+ for (i = 0; i < modify->nfix; i++) {
+ if (modify->fix[i]->rigid_flag) rflag = 1;
+ if (rflag && (modify->fmask[i] & POST_FORCE) &&
+ !modify->fix[i]->rigid_flag) {
+ char str[128];
+ sprintf(str,"Fix %d alters forces after fix rigid",modify->fix[i]->id);
+ error->warning(FLERR,str);
}
}
- if (count > 1 && myposition == 1 && comm->me == 0)
- error->warning(FLERR,"More than one fix rigid");
+ }
// error if npt,nph fix comes before rigid fix
@@ -599,29 +587,6 @@ void FixRigidSmall::init()
error->all(FLERR,"Rigid fix must come before NPT/NPH fix");
}
- // warn if fix rigid preceeds non-rigid fixes with post-force tasks
- // when computing body forces and torques in post_force() instead of final_integrate()
-
- if (earlyflag) {
- int has_post_force[modify->nfix - myindex];
- count = 0;
- for (i = myindex + 1; i < modify->nfix; i++)
- if ( (modify->fmask[i] & POST_FORCE) && (!modify->fix[i]->rigid_flag) )
- has_post_force[count++] = i;
- if (count) {
- FILE *p[2] = {screen, logfile};
- for (int j = 0; j < 2; j++)
- if (p[j]) {
- fprintf(p[j],"WARNING: fix %s %s",id,style);
- fprintf(p[j]," will add up forces before they are handled by:\n");
- for (int k = 0; k < count; k++) {
- Fix *fix = modify->fix[has_post_force[k]];
- fprintf(p[j]," => fix %s %s\n",fix->id,fix->style);
- }
- }
- }
- }
-
// timestep info
dtv = update->dt;
@@ -822,10 +787,10 @@ void FixRigidSmall::initial_integrate(int vflag)
/* ----------------------------------------------------------------------
apply Langevin thermostat to all 6 DOF of rigid bodies I own
unlike fix langevin, this stores extra force in extra arrays,
- which are added in when one calculates a new fcm/torque
+ which are added in when a new fcm/torque are calculated
------------------------------------------------------------------------- */
-void FixRigidSmall::apply_langevin_thermostat()
+void FixRigidSmall::apply_langevin_thermostat(int vflag)
{
double gamma1,gamma2;
@@ -984,13 +949,6 @@ void FixRigidSmall::compute_forces_and_torques()
}
}
-/* ---------------------------------------------------------------------- */
-
-void FixRigidSmall::post_force(int vflag)
-{
- if (langflag) apply_langevin_thermostat();
- if (earlyflag) compute_forces_and_torques();
-}
/* ---------------------------------------------------------------------- */
@@ -3454,6 +3412,21 @@ void FixRigidSmall::zero_rotation()
/* ---------------------------------------------------------------------- */
+int FixRigidSmall::modify_param(int narg, char **arg)
+{
+ if (strcmp(arg[0],"bodyforces") == 0) {
+ if (narg < 2) error->all(FLERR,"Illegal fix_modify command");
+ if (strcmp(arg[1],"early") == 0) earlyflag = 1;
+ else if (strcmp(arg[1],"late") == 0) earlyflag = 0;
+ else error->all(FLERR,"Illegal fix_modify command");
+ return 2;
+ }
+
+ return 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
void *FixRigidSmall::extract(const char *str, int &dim)
{
if (strcmp(str,"body") == 0) {
diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h
index 6c4a002059..3f6826f9bb 100644
--- a/src/RIGID/fix_rigid_small.h
+++ b/src/RIGID/fix_rigid_small.h
@@ -33,7 +33,6 @@ class FixRigidSmall : public Fix {
public:
FixRigidSmall(class LAMMPS *, int, char **);
virtual ~FixRigidSmall();
- int modify_param(int, char **);
virtual int setmask();
virtual void init();
virtual void setup(int);
@@ -64,6 +63,7 @@ class FixRigidSmall : public Fix {
void reset_dt();
void zero_momentum();
void zero_rotation();
+ int modify_param(int, char **);
void *extract(const char*, int &);
double extract_ke();
double extract_erotational();
@@ -79,7 +79,7 @@ class FixRigidSmall : public Fix {
char *infile; // file to read rigid body attributes from
int setupflag; // 1 if body properties are setup, else 0
- int earlyflag; // 1 if forces and torques are computed at post_force()
+ int earlyflag; // 1 if forces/torques are computed at post_force()
int commflag; // various modes of forward/reverse comm
int customflag; // 1 if custom property/variable define bodies
int nbody; // total # of rigid bodies
@@ -194,7 +194,7 @@ class FixRigidSmall : public Fix {
void setup_bodies_static();
void setup_bodies_dynamic();
void apply_langevin_thermostat();
- virtual void compute_forces_and_torques();
+ void compute_forces_and_torques();
void readfile(int, double **, int *);
void grow_body();
void reset_atom2body();
diff --git a/src/USER-OMP/fix_rigid_omp.h b/src/USER-OMP/fix_rigid_omp.h
index 372486aa85..b666a173a8 100644
--- a/src/USER-OMP/fix_rigid_omp.h
+++ b/src/USER-OMP/fix_rigid_omp.h
@@ -45,4 +45,3 @@ class FixRigidOMP : public FixRigid {
#endif
#endif
-
diff --git a/src/USER-OMP/fix_rigid_small_omp.cpp b/src/USER-OMP/fix_rigid_small_omp.cpp
index acf4b7919f..a0495b3b93 100644
--- a/src/USER-OMP/fix_rigid_small_omp.cpp
+++ b/src/USER-OMP/fix_rigid_small_omp.cpp
@@ -618,3 +618,4 @@ void FixRigidSmallOMP::set_v_thr()
}
}
}
+
--
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