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more additions to USER atom styles and bug fixes

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This commit is contained in:
Steve Plimpton
2019-12-13 13:54:12 -07:00
parent 9af08f2d54
commit db6d272303
29 changed files with 218 additions and 1289 deletions
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src/atom.cpp
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@ -566,6 +566,7 @@ void Atom::peratom_create()
add_peratom("edpd_cv",&edpd_cv,DOUBLE,0);
add_peratom("edpd_temp",&edpd_temp,DOUBLE,0);
add_peratom("vest_temp",&vest_temp,DOUBLE,0);
add_peratom("edpd_flux",&edpd_flux,DOUBLE,0,1); // set per-thread flag
add_peratom("cc",&cc,DOUBLE,1);
add_peratom("cc_flux",&cc_flux,DOUBLE,1,1); // set per-thread flag
@ -625,8 +626,11 @@ void Atom::add_peratom(const char *name, void *address,
void Atom::add_peratom_change_columns(const char *name, int cols)
{
int i;
for (int i = 0; i < nperatom; i++)
if (strcmp(name,peratom[i].name) == 0) peratom[i].cols = cols;
if (i == nperatom)
error->all(FLERR,"Could not find name of peratom array for column change");
}
/* ----------------------------------------------------------------------