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multiscale
lammps
Commits
f0681f7e
Commit
f0681f7e
authored
7 years ago
by
Axel Kohlmeyer
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add support for USER-TALLY to pair styles hybrid and hybrid/overlay
parent
dfa98152
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3 changed files
src/pair.h
+2
-2
2 additions, 2 deletions
src/pair.h
src/pair_hybrid.cpp
+17
-0
17 additions, 0 deletions
src/pair_hybrid.cpp
src/pair_hybrid.h
+3
-0
3 additions, 0 deletions
src/pair_hybrid.h
with
22 additions
and
2 deletions
src/pair.h
+
2
−
2
View file @
f0681f7e
...
@@ -194,8 +194,8 @@ class Pair : protected Pointers {
...
@@ -194,8 +194,8 @@ class Pair : protected Pointers {
int
num_tally_compute
;
int
num_tally_compute
;
class
Compute
**
list_tally_compute
;
class
Compute
**
list_tally_compute
;
public
:
public
:
void
add_tally_callback
(
class
Compute
*
);
virtual
void
add_tally_callback
(
class
Compute
*
);
void
del_tally_callback
(
class
Compute
*
);
virtual
void
del_tally_callback
(
class
Compute
*
);
protected
:
protected
:
int
instance_me
;
// which Pair class instantiation I am
int
instance_me
;
// which Pair class instantiation I am
...
...
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Click to expand it.
src/pair_hybrid.cpp
+
17
−
0
View file @
f0681f7e
...
@@ -169,6 +169,23 @@ void PairHybrid::compute(int eflag, int vflag)
...
@@ -169,6 +169,23 @@ void PairHybrid::compute(int eflag, int vflag)
if
(
vflag_fdotr
)
virial_fdotr_compute
();
if
(
vflag_fdotr
)
virial_fdotr_compute
();
}
}
/* ---------------------------------------------------------------------- */
void
PairHybrid
::
add_tally_callback
(
Compute
*
ptr
)
{
for
(
int
m
=
0
;
m
<
nstyles
;
m
++
)
styles
[
m
]
->
add_tally_callback
(
ptr
);
}
/* ---------------------------------------------------------------------- */
void
PairHybrid
::
del_tally_callback
(
Compute
*
ptr
)
{
for
(
int
m
=
0
;
m
<
nstyles
;
m
++
)
styles
[
m
]
->
del_tally_callback
(
ptr
);
}
/* ---------------------------------------------------------------------- */
/* ---------------------------------------------------------------------- */
void
PairHybrid
::
compute_inner
()
void
PairHybrid
::
compute_inner
()
...
...
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src/pair_hybrid.h
+
3
−
0
View file @
f0681f7e
...
@@ -55,6 +55,9 @@ class PairHybrid : public Pair {
...
@@ -55,6 +55,9 @@ class PairHybrid : public Pair {
int
check_ijtype
(
int
,
int
,
char
*
);
int
check_ijtype
(
int
,
int
,
char
*
);
virtual
void
add_tally_callback
(
class
Compute
*
);
virtual
void
del_tally_callback
(
class
Compute
*
);
protected:
protected:
int
nstyles
;
// # of sub-styles
int
nstyles
;
// # of sub-styles
Pair
**
styles
;
// list of Pair style classes
Pair
**
styles
;
// list of Pair style classes
...
...
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