small updates/corrections from giacomo
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@ -167,6 +167,9 @@ colvar::colvar (std::string const &conf)
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// check the available features of each cvc
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for (size_t i = 0; i < cvcs.size(); i++) {
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if ((cvcs[i])->b_debug_gradients)
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enable (task_gradients);
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if ((cvcs[i])->sup_np != 1) {
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if (cvm::debug() && b_linear)
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cvm::log ("Warning: You are using a non-linear polynomial "
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@ -2,7 +2,7 @@
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#define COLVARMODULE_H
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#ifndef COLVARS_VERSION
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#define COLVARS_VERSION "2013-06-07"
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#define COLVARS_VERSION "2013-06-10"
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#endif
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#ifndef COLVARS_DEBUG
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@ -155,7 +155,7 @@ double colvarproxy_lammps::compute()
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}
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// zero the forces on the atoms, so that they can be accumulated by the colvars
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for (size_t i = 0; i < colvars_atoms.size(); i++) {
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for (size_t i = 0; i < applied_forces.size(); i++) {
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applied_forces[i].x = applied_forces[i].y = applied_forces[i].z = 0.0;
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}
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