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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-06 22:47:51 +00:00
parent f46eb9dedb
commit ef9e700545
1408 changed files with 58053 additions and 57983 deletions
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22
src/library.cpp
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@ -5,7 +5,7 @@
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
@ -177,19 +177,19 @@ void *lammps_extract_compute(void *ptr, char *id, int style, int type)
if (type == 0) {
if (!compute->scalar_flag) return NULL;
if (compute->invoked_scalar != lmp->update->ntimestep)
compute->compute_scalar();
compute->compute_scalar();
return (void *) &compute->scalar;
}
if (type == 1) {
if (!compute->vector_flag) return NULL;
if (compute->invoked_vector != lmp->update->ntimestep)
compute->compute_vector();
compute->compute_vector();
return (void *) compute->vector;
}
if (type == 2) {
if (!compute->array_flag) return NULL;
if (compute->invoked_array != lmp->update->ntimestep)
compute->compute_array();
compute->compute_array();
return (void *) compute->array;
}
}
@ -198,12 +198,12 @@ void *lammps_extract_compute(void *ptr, char *id, int style, int type)
if (!compute->peratom_flag) return NULL;
if (type == 1) {
if (compute->invoked_peratom != lmp->update->ntimestep)
compute->compute_peratom();
compute->compute_peratom();
return (void *) compute->vector_atom;
}
if (type == 2) {
if (compute->invoked_peratom != lmp->update->ntimestep)
compute->compute_peratom();
compute->compute_peratom();
return (void *) compute->array_atom;
}
}
@ -212,12 +212,12 @@ void *lammps_extract_compute(void *ptr, char *id, int style, int type)
if (!compute->local_flag) return NULL;
if (type == 1) {
if (compute->invoked_local != lmp->update->ntimestep)
compute->compute_local();
compute->compute_local();
return (void *) compute->vector_local;
}
if (type == 2) {
if (compute->invoked_local != lmp->update->ntimestep)
compute->compute_local();
compute->compute_local();
return (void *) compute->array_local;
}
}
@ -234,7 +234,7 @@ void *lammps_extract_compute(void *ptr, char *id, int style, int type)
for global data, returns a pointer to a memory location
which is allocated by this function
which the caller can cast to a (double *) which points to the value
for per-atom or local data, returns a pointer to the
for per-atom or local data, returns a pointer to the
fix's internal data structure for the entity
which the caller can cast to the proper data type
returns a NULL if id is not recognized or style/type not supported
@ -249,7 +249,7 @@ void *lammps_extract_compute(void *ptr, char *id, int style, int type)
------------------------------------------------------------------------- */
void *lammps_extract_fix(void *ptr, char *id, int style, int type,
int i, int j)
int i, int j)
{
LAMMPS *lmp = (LAMMPS *) ptr;
@ -298,7 +298,7 @@ void *lammps_extract_fix(void *ptr, char *id, int style, int type,
for equal-style variable, returns a pointer to a memory location
which is allocated by this function
which the caller can cast to a (double *) which points to the value
for atom-style variable, returns a pointer to the
for atom-style variable, returns a pointer to the
vector of per-atom values on each processor,
which the caller can cast to the proper data type
returns a NULL if name is not recognized or not equal-style or atom-style