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HADRESS_Version_24_Jun_2016

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MaziarHeidari
2016-06-24 16:05:27 +02:00
parent 7e4cd46434
commit 1ed74de9a8
5 changed files with 98 additions and 2 deletions
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8
src/read_data.cpp
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@ -968,7 +968,13 @@ void ReadData::header(int firstpass)
} else if (strstr(line,"atom types")) {
sscanf(line,"%d",&ntypes);
if (addflag == NONE) atom->ntypes = ntypes + extra_atom_types;
} else if (strstr(line,"bond types")) {
} else if (strstr(line,"mol_H types")){
// Number of molecule types in Coarse-grain regions, USER-HADRESS Package
sscanf(line,"%d",&atom->nmoltypesH);
}
else if (strstr(line,"bond types")) {
sscanf(line,"%d",&nbondtypes);
if (addflag == NONE) atom->nbondtypes = nbondtypes + extra_bond_types;
} else if (strstr(line,"angle types")) {