Merge pull request #875 from akohlmey/collected-small-fixes

Collected small changes and bug fixes for the next patch release
This commit is contained in:
Steve Plimpton
2018-05-03 11:28:00 -06:00
committed by GitHub
31 changed files with 190 additions and 46 deletions

View File

@ -337,3 +337,13 @@ void ImproperRing::read_restart(FILE *fp)
for (int i = 1; i <= atom->nimpropertypes; i++) setflag[i] = 1;
}
/* ----------------------------------------------------------------------
proc 0 writes to data file
------------------------------------------------------------------------- */
void ImproperRing::write_data(FILE *fp)
{
for (int i = 1; i <= atom->nimpropertypes; i++)
fprintf(fp,"%d %g %g\n",i,k[i],acos(chi[i])/MY_PI*180.0);
}