ICODE-ADC/lammps
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small changes- still not compiling on Windows...

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This commit is contained in:
Thomas Swinburne
2023-01-12 21:24:40 +01:00
parent bdf6cdd327
commit c8f380ffbb
2 changed files with 2 additions and 2 deletions
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2
src/REPLICA/fix_neb.cpp
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@ -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;

2
src/REPLICA/neb.cpp
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@ -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");