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give visual feedback for molecule properties with molecule command

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Axel Kohlmeyer
2014-08-04 17:35:43 -04:00
parent 006f747f27
commit 526bddbf2b
1 changed files with 18 additions and 0 deletions
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18
src/molecule.cpp
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@ -62,6 +62,24 @@ Molecule::Molecule(LAMMPS *lmp, char *idarg, char *file) : Pointers(lmp)
if (me == 0) open(file);
read(1);
if (me == 0) fclose(fp);
if (me == 0) {
if (screen)
fprintf(screen,"Successfully read molecule %s\n"
" %d atoms with %d types\n %d bonds with %d types\n"
" %d angles with %d types\n %d dihedrals with %d types\n"
" %d impropers with %d types\n",id,natoms,ntypes,
nbonds,nbondtypes,nangles,nangletypes,
ndihedrals,ndihedraltypes,nimpropers,nimpropertypes);
if (logfile)
fprintf(logfile,"Successfully read molecule %s\n"
" %d atoms with %d types\n %d bonds with %d types\n"
" %d angles with %d types\n %d dihedrals with %d types\n"
" %d impropers with %d types\n",id,natoms,ntypes,
nbonds,nbondtypes,nangles,nangletypes,
ndihedrals,ndihedraltypes,nimpropers,nimpropertypes);
}
}
/* ---------------------------------------------------------------------- */