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correctly represent, that the molecule summary refers to the largest type number and not the number of types

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This commit is contained in:
Axel Kohlmeyer
2018-02-11 16:17:24 +01:00
parent 6efeab0f3a
commit afd39eb9b8
1 changed files with 6 additions and 6 deletions
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12
src/molecule.cpp
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@ -144,17 +144,17 @@ Molecule::Molecule(LAMMPS *lmp, int narg, char **arg, int &index) :
if (me == 0) {
if (screen)
fprintf(screen,"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",
" %d atoms with max type %d\n %d bonds with max type %d\n"
" %d angles with max type %d\n %d dihedrals with max type %d\n"
" %d impropers with max type %d\n",
id,natoms,ntypes,
nbonds,nbondtypes,nangles,nangletypes,
ndihedrals,ndihedraltypes,nimpropers,nimpropertypes);
if (logfile)
fprintf(logfile,"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",
" %d atoms with max type %d\n %d bonds with max type %d\n"
" %d angles with max type %d\n %d dihedrals with max type %d\n"
" %d impropers with max type %d\n",
id,natoms,ntypes,
nbonds,nbondtypes,nangles,nangletypes,
ndihedrals,ndihedraltypes,nimpropers,nimpropertypes);