make dihedrals and impropers header output consistent with bonds and angles

This commit is contained in:
Axel Kohlmeyer
2018-02-15 05:13:59 -05:00
parent 2aa693c46c
commit f8daea5f3e

View File

@ -243,11 +243,11 @@ void WriteData::header()
fprintf(fp,"%d angle types\n",atom->nangletypes);
}
if (atom->ndihedrals || atom->ndihedraltypes) {
fprintf(fp,BIGINT_FORMAT " dihedrals\n",atom->ndihedrals);
fprintf(fp,BIGINT_FORMAT " dihedrals\n",ndihedrals);
fprintf(fp,"%d dihedral types\n",atom->ndihedraltypes);
}
if (atom->nimpropers || atom->nimpropertypes) {
fprintf(fp,BIGINT_FORMAT " impropers\n",atom->nimpropers);
fprintf(fp,BIGINT_FORMAT " impropers\n",nimpropers);
fprintf(fp,"%d improper types\n",atom->nimpropertypes);
}
}