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

whitespace

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-04-18 21:20:13 -04:00
parent 25b0454505
commit 89195363d6
35 changed files with 1519 additions and 1519 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
src/force.cpp
View File

@ -55,7 +55,7 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
special_angle = special_dihedral = 0;
special_onefive = 0;
special_extra = 0;
dielectric = 1.0;
qqr2e_lammps_real = 332.06371; // these constants are toggled
qqr2e_charmm_real = 332.0716; // by new CHARMM pair styles
@ -706,7 +706,7 @@ void Force::set_special(int narg, char **arg)
special_coul[1] = special_coul[2] = special_coul[3] = 0.0;
special_angle = special_dihedral = 0;
special_onefive = 0;
int iarg = 0;
while (iarg < narg) {
if (strcmp(arg[iarg], "amber") == 0) {
@ -777,8 +777,8 @@ void Force::set_special(int narg, char **arg)
else if (strcmp(arg[iarg+1],"yes") == 0) special_onefive = 1;
else error->all(FLERR,"Illegal special_bonds command");
if (special_onefive && atom->nspecial15_flag == 0)
error->all(FLERR,"Cannot set special_bonds one/five if "
"atom style does not support it");
error->all(FLERR,"Cannot set special_bonds one/five if "
"atom style does not support it");
iarg += 2;
} else error->all(FLERR,"Illegal special_bonds command");
}