From 7a8afb6eef81964bee555fa2e8c16cb6b2cf478f Mon Sep 17 00:00:00 2001 From: Jacob Gissinger Date: Thu, 19 Aug 2021 20:10:26 -0400 Subject: [PATCH] add fragment count to molecule file output --- src/molecule.cpp | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/molecule.cpp b/src/molecule.cpp index 1194f2c584..138b4e0749 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -148,13 +148,15 @@ Molecule::Molecule(LAMMPS *lmp, int narg, char **arg, int &index) : if (me == 0) utils::logmesg(lmp,"Read molecule template {}:\n {} molecules\n" + " {} fragments\n" " {} atoms with max type {}\n" " {} bonds with max type {}\n" " {} angles with max type {}\n" " {} dihedrals with max type {}\n" " {} impropers with max type {}\n", id,nmolecules, - natoms,ntypes,nbonds,nbondtypes,nangles,nangletypes, - ndihedrals,ndihedraltypes,nimpropers,nimpropertypes); + nfragments,natoms,ntypes,nbonds,nbondtypes,nangles, + nangletypes,ndihedrals,ndihedraltypes,nimpropers, + nimpropertypes); } /* ---------------------------------------------------------------------- */