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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1886 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-06-06 18:04:35 +00:00
parent 1e31ea32a5
commit 08416eaf3e
2 changed files with 7 additions and 4 deletions
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3
src/MOLECULE/fix_bond_swap.cpp
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@ -122,6 +122,9 @@ void FixBondSwap::init()
if (force->pair == NULL || force->bond == NULL)
error->all("Fix bond/swap requires pair and bond styles");
if (force->angle == NULL && atom->nangles > 0 && comm->me == 0)
error->warning("Fix bond/swap will ignore defined angles");
if (force->dihedral || force->improper)
error->all("Fix bond/swap cannot use dihedral or improper styles");

8
src/neighbor.cpp
View File

@ -994,10 +994,10 @@ void Neighbor::build()
(this->*pair_build[blist[i]])(lists[blist[i]]);
if (atom->molecular) {
if (atom->nbonds) (this->*bond_build)();
if (atom->nangles) (this->*angle_build)();
if (atom->ndihedrals) (this->*dihedral_build)();
if (atom->nimpropers) (this->*improper_build)();
if (force->bond) (this->*bond_build)();
if (force->angle) (this->*angle_build)();
if (force->dihedral) (this->*dihedral_build)();
if (force->improper) (this->*improper_build)();
}
}