diff --git a/src/ML-SNAP/pair_snap.cpp b/src/ML-SNAP/pair_snap.cpp index 089f594fff..56c3250c3f 100644 --- a/src/ML-SNAP/pair_snap.cpp +++ b/src/ML-SNAP/pair_snap.cpp @@ -688,16 +688,17 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename) auto keywd = words[0]; auto keyval = words[1]; - // check for keywords with one value per element + // check for keywords with more than one value per element if (keywd == "sinner" || keywd == "dinner") { if ((int)words.size() != nelements+1) error->all(FLERR,"Incorrect SNAP parameter file"); + + // innerlogstr collects all values of sinner or dinner for log output below - if (comm->me == 0) - utils::logmesg(lmp,"SNAP keyword {} {} ... \n", keywd, keyval); - + std::string innerlogstr; + int iword = 1; if (keywd == "sinner") { @@ -705,6 +706,7 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename) keyval = words[iword]; sinnerelem[ielem] = utils::numeric(FLERR,keyval,false,lmp); iword++; + innerlogstr += keyval + " "; } sinnerflag = 1; } else if (keywd == "dinner") { @@ -712,9 +714,13 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename) keyval = words[iword]; dinnerelem[ielem] = utils::numeric(FLERR,keyval,false,lmp); iword++; + innerlogstr += keyval + " "; } dinnerflag = 1; } + + if (comm->me == 0) + utils::logmesg(lmp,"SNAP keyword {} {} ... \n", keywd, innerlogstr); } else {