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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-29 14:28:58 +00:00
parent f486709150
commit b936d69f12
2 changed files with 28 additions and 17 deletions
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21
src/min.cpp
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@ -241,12 +241,21 @@ void Min::setup()
// remove these restriction eventually
if (nextra_global && searchflag == 0)
error->all(FLERR,
"Cannot use a damped dynamics min style with fix box/relax");
if (nextra_atom && searchflag == 0)
error->all(FLERR,
"Cannot use a damped dynamics min style with per-atom DOF");
if (searchflag == 0) {
if (nextra_global)
error->all(FLERR,
"Cannot use a damped dynamics min style with fix box/relax");
if (nextra_atom)
error->all(FLERR,
"Cannot use a damped dynamics min style with per-atom DOF");
}
if (strcmp(update->minimize_style,"hftn") == 0) {
if (nextra_global)
error->all(FLERR, "Cannot use hftn min style with fix box/relax");
if (nextra_atom)
error->all(FLERR, "Cannot use hftn min style with per-atom DOF");
}
// atoms may have migrated in comm->exchange()