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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-04-15 16:07:01 +00:00
parent 32509da721
commit 212a955285
31 changed files with 1713 additions and 1493 deletions
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6
lib/colvars/colvarbias_alb.cpp
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@ -41,6 +41,7 @@ colvarbias_alb::colvarbias_alb(std::string const &conf, char const *key) :
current_coupling.resize(colvars.size());
coupling_rate.resize(colvars.size());
enable(f_cvb_apply_force);
for (i = 0; i < colvars.size(); i++) {
colvar_centers[i].type(colvars[i]->value());
@ -120,7 +121,7 @@ colvarbias_alb::~colvarbias_alb() {
}
cvm::real colvarbias_alb::update() {
int colvarbias_alb::update() {
bias_energy = 0.0;
update_calls++;
@ -224,8 +225,7 @@ cvm::real colvarbias_alb::update() {
}
return bias_energy;
return COLVARS_OK;
}