ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

cleanup and bugfix

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-08-09 15:12:38 -04:00
parent 2fcd7b79ab
commit b223ca1436
2 changed files with 5 additions and 7 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/fix_temp_csvr.cpp
View File

@ -126,6 +126,7 @@ FixTempCSVR::FixTempCSVR(LAMMPS *lmp, int narg, char **arg) :
// CSVR thermostat should be applied every step
restart_global = 1;
nevery = 1;
scalar_flag = 1;
global_freq = nevery;
@ -360,7 +361,6 @@ void FixTempCSVR::write_restart(FILE *fp)
void FixTempCSVR::restart(char *buf)
{
int n = 0;
double *list = (double *) buf;
energy = list[0];
@ -368,7 +368,7 @@ void FixTempCSVR::restart(char *buf)
if (nprocs != comm->nprocs) {
if (comm->me == 0)
error->warning(FLERR,"Different number of procs. Cannot restore RNG state.");
} else random->set_state(list+n+comm->me*103);
} else random->set_state(list+2+comm->me*103);
}
/* ----------------------------------------------------------------------