From c8f380ffbb61fee25efbbf74018dcdce252774a8 Mon Sep 17 00:00:00 2001 From: Thomas Swinburne Date: Thu, 12 Jan 2023 21:24:40 +0100 Subject: [PATCH] small changes- still not compiling on Windows... --- src/REPLICA/fix_neb.cpp | 2 +- src/REPLICA/neb.cpp | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index 0ef4c2f6e2..c9a6d05442 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -61,7 +61,7 @@ FixNEB::FixNEB(LAMMPS *lmp, int narg, char **arg) : // optional params - neb_mode = 0; + neb_mode = NEIGHBOR; // default setting PerpSpring = FreeEndIni = FreeEndFinal = false; FreeEndFinalWithRespToEIni = FinalAndInterWithRespToEIni = false; kspringPerp = 0.0; diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp index c10d882de0..dd7cc38247 100644 --- a/src/REPLICA/neb.cpp +++ b/src/REPLICA/neb.cpp @@ -145,7 +145,7 @@ void NEB::command(int narg, char **arg) // process file-style setting to setup initial configs for all replicas int iarg = 5; int filecmd = 0; - print_mode = 0; // normal + print_mode = NORMAL; // normal while (iarg < narg) { if (strcmp(arg[iarg],"final") == 0) { if (iarg + 2 > narg) error->universe_all(FLERR,"Illegal NEB command: missing arguments");