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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13126 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-02-19 18:20:52 +00:00
parent f300f2367e
commit 067833cf07
21 changed files with 597 additions and 360 deletions
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9
lib/colvars/colvarcomp_angles.cpp
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@ -54,10 +54,6 @@ colvar::angle::angle()
void colvar::angle::calc_value()
{
group1.read_positions();
group2.read_positions();
group3.read_positions();
cvm::atom_pos const g1_pos = group1.center_of_mass();
cvm::atom_pos const g2_pos = group2.center_of_mass();
cvm::atom_pos const g3_pos = group3.center_of_mass();
@ -215,11 +211,6 @@ colvar::dihedral::dihedral()
void colvar::dihedral::calc_value()
{
group1.read_positions();
group2.read_positions();
group3.read_positions();
group4.read_positions();
cvm::atom_pos const g1_pos = group1.center_of_mass();
cvm::atom_pos const g2_pos = group2.center_of_mass();
cvm::atom_pos const g3_pos = group3.center_of_mass();