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

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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
parent 654fec164d 1fdb010c41
commit 749f1ff407
31 changed files with 190 additions and 46 deletions
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9
src/USER-MISC/dihedral_quadratic.cpp
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@ -333,3 +333,12 @@ void DihedralQuadratic::read_restart(FILE *fp)
for (int i = 1; i <= atom->ndihedraltypes; i++) setflag[i] = 1;
}
/* ----------------------------------------------------------------------
proc 0 writes to data file
------------------------------------------------------------------------- */
void DihedralQuadratic::write_data(FILE *fp)
{
for (int i = 1; i <= atom->ndihedraltypes; i++)
fprintf(fp,"%d %g %g \n",i,k[i],phi0[i]*180.0/MY_PI);
}