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Fix typo

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This commit is contained in:
Eisuke Kawashima
2020-03-14 12:38:28 +09:00
parent fa7085be07
commit 649a8cc01a
401 changed files with 617 additions and 617 deletions
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6
lib/colvars/colvarcomp_protein.cpp
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@ -210,7 +210,7 @@ void colvar::alpha_angles::collect_gradients(std::vector<int> const &atom_ids, s
1.0/(1.0 - (t*t*t*t)) *
( (-2.0 * t) + (-1.0*f)*(-4.0 * (t*t*t)) );
// Coeficient of this CVC's gradient in the colvar gradient, times coefficient of this
// Coefficient of this CVC's gradient in the colvar gradient, times coefficient of this
// angle's gradient in the CVC's gradient
cvm::real const coeff = cvc_coeff * theta_norm * dfdt * (1.0/theta_tol);
@ -230,7 +230,7 @@ void colvar::alpha_angles::collect_gradients(std::vector<int> const &atom_ids, s
cvm::real const hb_norm = hb_coeff / cvm::real(hb.size());
for (size_t i = 0; i < hb.size(); i++) {
// Coeficient of this CVC's gradient in the colvar gradient, times coefficient of this
// Coefficient of this CVC's gradient in the colvar gradient, times coefficient of this
// hbond's gradient in the CVC's gradient
cvm::real const coeff = cvc_coeff * 0.5 * hb_norm;
@ -473,7 +473,7 @@ void colvar::dihedPC::collect_gradients(std::vector<int> const &atom_ids, std::v
cvm::real const t = (PI / 180.) * theta[i]->value().real_value;
cvm::real const dcosdt = - (PI / 180.) * cvm::sin(t);
cvm::real const dsindt = (PI / 180.) * cvm::cos(t);
// Coeficient of this dihedPC's gradient in the colvar gradient, times coefficient of this
// Coefficient of this dihedPC's gradient in the colvar gradient, times coefficient of this
// dihedral's gradient in the dihedPC's gradient
cvm::real const coeff = cvc_coeff * (coeffs[2*i] * dcosdt + coeffs[2*i+1] * dsindt);