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fix bug of parsing fix/dplr #244

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Merged
amcadmus merged 1 commit into from
Aug 12, 2020
Merged

fix bug of parsing fix/dplr #244

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7 changes: 4 additions & 3 deletions source/lmp/fix_dplr.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,7 @@ is_key (const string& input)
keys.push_back("model");
keys.push_back("type_associate");
keys.push_back("bond_type");
keys.push_back("efield");
for (int ii = 0; ii < keys.size(); ++ii){
if (input == keys[ii]) {
return true;
Expand Down Expand Up @@ -58,22 +59,22 @@ FixDPLR::FixDPLR(LAMMPS *lmp, int narg, char **arg)
model = string(arg[iarg+1]);
iarg += 2;
}
if (string(arg[iarg]) == string("efield")) {
else if (string(arg[iarg]) == string("efield")) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix adapt command, efield should be provided 3 float numbers");
efield[0] = atof(arg[iarg+1]);
efield[1] = atof(arg[iarg+2]);
efield[2] = atof(arg[iarg+3]);
iarg += 4;
}
if (string(arg[iarg]) == string("type_associate")) {
else if (string(arg[iarg]) == string("type_associate")) {
int iend = iarg+1;
while (iend < narg && (! is_key(arg[iend]) )) {
map_vec.push_back(atoi(arg[iend])-1);
iend ++;
}
iarg = iend;
}
if (string(arg[iarg]) == string("bond_type")) {
else if (string(arg[iarg]) == string("bond_type")) {
int iend = iarg+1;
while (iend < narg && (! is_key(arg[iend]) )) {
bond_type.push_back(atoi(arg[iend])-1);
Expand Down