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fix several issues when using extract_global() from python exposed by tests

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This commit is contained in:
Axel Kohlmeyer
2021-03-25 11:23:28 -04:00
committed by Richard Berger
parent b8f02d759a
commit a193d9d429
3 changed files with 20 additions and 5 deletions
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9
src/library.cpp
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@ -1387,8 +1387,13 @@ void *lammps_extract_global(void *handle, const char *name)
if (strcmp(name,"boxhi") == 0) return (void *) lmp->domain->boxhi;
if (strcmp(name,"sublo") == 0) return (void *) lmp->domain->sublo;
if (strcmp(name,"subhi") == 0) return (void *) lmp->domain->subhi;
if (strcmp(name,"sublo_lambda") == 0) return (void *) lmp->domain->sublo_lamda;
if (strcmp(name,"subhi_lambda") == 0) return (void *) lmp->domain->subhi_lamda;
// these are only valid for a triclinic cell
if (lmp->domain->triclinic) {
if (strcmp(name,"sublo_lambda") == 0)
return (void *) lmp->domain->sublo_lamda;
if (strcmp(name,"subhi_lambda") == 0)
return (void *) lmp->domain->subhi_lamda;
}
if (strcmp(name,"boxxlo") == 0) return (void *) &lmp->domain->boxlo[0];
if (strcmp(name,"boxxhi") == 0) return (void *) &lmp->domain->boxhi[0];
if (strcmp(name,"boxylo") == 0) return (void *) &lmp->domain->boxlo[1];