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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10118 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-27 22:48:27 +00:00
parent 38112d0063
commit 4da20dce99
30 changed files with 883 additions and 571 deletions
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4
lib/colvars/colvarcomp.cpp
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@ -39,7 +39,7 @@ colvar::cvc::cvc (std::string const &conf)
}
void colvar::cvc::parse_group (std::string const &conf,
void colvar::cvc::parse_group (std::string const &conf,
char const *group_key,
cvm::atom_group &group,
bool optional)
@ -120,7 +120,7 @@ void colvar::cvc::debug_gradients (cvm::atom_group &group)
for (size_t id = 0; id < 3; id++) {
// (re)read original positions
group.read_positions();
// change one coordinate
// change one coordinate
group[ia].pos[id] += cvm::debug_gradients_step_size;
// (re)do the fit (if defined)
if (group.b_center || group.b_rotate) {