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another day, another colvars update

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This commit is contained in:
Axel Kohlmeyer
2014-10-28 18:05:29 -04:00
parent fa9c01c701
commit 5890ef420b
7 changed files with 1036 additions and 921 deletions
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9
lib/colvars/colvar.cpp
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@ -188,6 +188,15 @@ colvar::colvar(std::string const &conf)
sorted_cvc_values.push_back(&(cvcs[j]->value()));
}
// // these two are the vector value and the Jacobian matrix of the scripted function, respectively
// x_cvc.type(type_vector);
// dx_cvc.type(type_matrix); // TODO: not implemented yet
// for (j = 0; j < cvcs.size(); j++) {
// x_cvc.add_elem(cvcs[j]->value());
// dx_cvc.add_elem(cvcs[j]->value());
// }
b_homogeneous = false;
// Scripted functions are deemed non-periodic
b_periodic = false;