ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

join wrapped strings

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-12-31 14:34:24 -05:00
parent c17a183816
commit 9efa2369dd
1 changed files with 5 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

15
src/read_data.cpp
View File

@ -1089,37 +1089,32 @@ void ReadData::header(int firstpass)
} else if (utils::strmatch(line,"^\\s*\\d+\\s+atom\\s+types\\s")) {
rv = sscanf(line,"%d",&ntypes);
if (rv != 1)
error->all(FLERR,"Could not parse 'atom types' line "
"in data file header");
error->all(FLERR,"Could not parse 'atom types' line in data file header");
if (addflag == NONE) atom->ntypes = ntypes + extra_atom_types;
} else if (utils::strmatch(line,"\\s*\\d+\\s+bond\\s+types\\s")) {
rv = sscanf(line,"%d",&nbondtypes);
if (rv != 1)
error->all(FLERR,"Could not parse 'bond types' line "
"in data file header");
error->all(FLERR,"Could not parse 'bond types' line in data file header");
if (addflag == NONE) atom->nbondtypes = nbondtypes + extra_bond_types;
} else if (utils::strmatch(line,"^\\s*\\d+\\s+angle\\s+types\\s")) {
rv = sscanf(line,"%d",&nangletypes);
if (rv != 1)
error->all(FLERR,"Could not parse 'angle types' line "
"in data file header");
error->all(FLERR,"Could not parse 'angle types' line in data file header");
if (addflag == NONE) atom->nangletypes = nangletypes + extra_angle_types;
} else if (utils::strmatch(line,"^\\s*\\d+\\s+dihedral\\s+types\\s")) {
rv = sscanf(line,"%d",&ndihedraltypes);
if (rv != 1)
error->all(FLERR,"Could not parse 'dihedral types' line "
"in data file header");
error->all(FLERR,"Could not parse 'dihedral types' line in data file header");
if (addflag == NONE)
atom->ndihedraltypes = ndihedraltypes + extra_dihedral_types;
} else if (utils::strmatch(line,"^\\s*\\d+\\s+improper\\s+types\\s")) {
rv = sscanf(line,"%d",&nimpropertypes);
if (rv != 1)
error->all(FLERR,"Could not parse 'improper types' line "
"in data file header");
error->all(FLERR,"Could not parse 'improper types' line in data file header");
if (addflag == NONE)
atom->nimpropertypes = nimpropertypes + extra_improper_types;