added functionity to lib interface

This commit is contained in:
Steve Plimpton
2016-12-13 16:22:17 -07:00
parent fb3f597f41
commit ae5764beac
28 changed files with 386 additions and 160 deletions

View File

@ -158,10 +158,9 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
tforce = NULL;
maxatom1 = maxatom2 = 0;
// Setup atom-based array for franprev
// setup atom-based array for franprev
// register with Atom class
// No need to set peratom_flag
// as this data is for internal use only
// no need to set peratom_flag, b/c data is for internal use only
if (gjfflag) {
nvalues = 3;