ICODE-ADC/lammps
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remove special_bonds extra keyword and refer to read_data and create_box instead

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Axel Kohlmeyer
2017-08-10 15:12:56 -04:00
parent 2a7d2dee36
commit c8741f3a01
6 changed files with 16 additions and 54 deletions
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4
src/input.cpp
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@ -1867,7 +1867,6 @@ void Input::special_bonds()
double coul3 = force->special_coul[3];
int angle = force->special_angle;
int dihedral = force->special_dihedral;
int extra = force->special_extra;
force->set_special(narg,arg);
@ -1877,8 +1876,7 @@ void Input::special_bonds()
if (lj2 != force->special_lj[2] || lj3 != force->special_lj[3] ||
coul2 != force->special_coul[2] || coul3 != force->special_coul[3] ||
angle != force->special_angle ||
dihedral != force->special_dihedral ||
extra != force->special_extra) {
dihedral != force->special_dihedral) {
Special special(lmp);
special.build();
}