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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11908 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-02 22:15:13 +00:00
parent 8bee4ef596
commit 3b7123bec2
3 changed files with 28 additions and 26 deletions
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16
src/neighbor.cpp
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@ -859,20 +859,20 @@ void Neighbor::init()
// set ptrs to topology build functions
if (bond_off) bond_build = &Neighbor::bond_partial;
else if (atom->molecular == 2) bond_build = &Neighbor::bond_template;
if (atom->molecular == 2) bond_build = &Neighbor::bond_template;
else if (bond_off) bond_build = &Neighbor::bond_partial;
else bond_build = &Neighbor::bond_all;
if (angle_off) angle_build = &Neighbor::angle_partial;
else if (atom->molecular == 2) angle_build = &Neighbor::angle_template;
if (atom->molecular == 2) angle_build = &Neighbor::angle_template;
else if (angle_off) angle_build = &Neighbor::angle_partial;
else angle_build = &Neighbor::angle_all;
if (dihedral_off) dihedral_build = &Neighbor::dihedral_partial;
else if (atom->molecular == 2) dihedral_build = &Neighbor::dihedral_template;
if (atom->molecular == 2) dihedral_build = &Neighbor::dihedral_template;
else if (dihedral_off) dihedral_build = &Neighbor::dihedral_partial;
else dihedral_build = &Neighbor::dihedral_all;
if (improper_off) improper_build = &Neighbor::improper_partial;
else if (atom->molecular == 2) improper_build = &Neighbor::improper_template;
if (atom->molecular == 2) improper_build = &Neighbor::improper_template;
else if (improper_off) improper_build = &Neighbor::improper_partial;
else improper_build = &Neighbor::improper_all;
// set topology neighbor list counts to 0