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Add missing globals in library interface

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This commit is contained in:
Richard Berger
2017-07-09 00:30:01 -05:00
parent 2b9646097c
commit 6b2d321d18
1 changed files with 24 additions and 0 deletions
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24
src/library.cpp
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@ -37,6 +37,7 @@
#include "comm.h"
#include "memory.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
@ -370,6 +371,7 @@ void *lammps_extract_global(void *ptr, char *name)
if (strcmp(name,"nlocal") == 0) return (void *) &lmp->atom->nlocal;
if (strcmp(name,"nghost") == 0) return (void *) &lmp->atom->nghost;
if (strcmp(name,"nmax") == 0) return (void *) &lmp->atom->nmax;
if (strcmp(name,"ntypes") == 0) return (void *) &lmp->atom->ntypes;
if (strcmp(name,"ntimestep") == 0) return (void *) &lmp->update->ntimestep;
if (strcmp(name,"units") == 0) return (void *) lmp->update->unit_style;
@ -384,6 +386,28 @@ void *lammps_extract_global(void *ptr, char *name)
if (strcmp(name,"atime") == 0) return (void *) &lmp->update->atime;
if (strcmp(name,"atimestep") == 0) return (void *) &lmp->update->atimestep;
// global constants defined by units
if (strcmp(name,"boltz") == 0) return (void *) &lmp->force->boltz;
if (strcmp(name,"hplanck") == 0) return (void *) &lmp->force->hplanck;
if (strcmp(name,"mvv2e") == 0) return (void *) &lmp->force->mvv2e;
if (strcmp(name,"ftm2v") == 0) return (void *) &lmp->force->ftm2v;
if (strcmp(name,"mv2d") == 0) return (void *) &lmp->force->mv2d;
if (strcmp(name,"nktv2p") == 0) return (void *) &lmp->force->nktv2p;
if (strcmp(name,"qqr2e") == 0) return (void *) &lmp->force->qqr2e;
if (strcmp(name,"qe2f") == 0) return (void *) &lmp->force->qe2f;
if (strcmp(name,"vxmu2f") == 0) return (void *) &lmp->force->vxmu2f;
if (strcmp(name,"xxt2kmu") == 0) return (void *) &lmp->force->xxt2kmu;
if (strcmp(name,"dielectric") == 0) return (void *) &lmp->force->dielectric;
if (strcmp(name,"qqrd2e") == 0) return (void *) &lmp->force->qqrd2e;
if (strcmp(name,"e_mass") == 0) return (void *) &lmp->force->e_mass;
if (strcmp(name,"hhmrr2e") == 0) return (void *) &lmp->force->hhmrr2e;
if (strcmp(name,"mvh2r") == 0) return (void *) &lmp->force->mvh2r;
if (strcmp(name,"angstrom") == 0) return (void *) &lmp->force->angstrom;
if (strcmp(name,"femtosecond") == 0) return (void *) &lmp->force->femtosecond;
if (strcmp(name,"qelectron") == 0) return (void *) &lmp->force->qelectron;
return NULL;
}