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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4744 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-08 23:18:40 +00:00
parent 131874819f
commit 3d06684857
1 changed files with 7 additions and 5 deletions
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12
src/MOLECULE/fix_bond_create.cpp
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@ -183,12 +183,14 @@ void FixBondCreate::init()
// require special bonds = 0,1,1
int flag = 0;
if (force->special_lj[1] != 0.0 || force->special_lj[2] != 1.0 ||
force->special_lj[3] != 1.0) flag = 1;
if (force->special_coul[1] != 0.0 || force->special_coul[2] != 1.0 ||
force->special_coul[3] != 1.0) flag = 1;
if (flag) error->all("Fix bond/create requires special_bonds = 0,1,1");
force->special_lj[3] != 1.0)
error->all("Fix bond/create requires special_bonds lj = 0,1,1");
if (atom->q_flag)
if (force->special_coul[1] != 0.0 || force->special_coul[2] != 1.0 ||
force->special_coul[3] != 1.0)
error->all("Fix bond/create requires special_bonds coul = 0,1,1");
// warn if angles, dihedrals, impropers are being used