|
Collective Variables Module - Developer Documentation
|
This is the complete list of members for colvar::orientation::rotation_derivative_impl_, including all inherited members.
| calc_derivative_impl(const cvm::rvector(&ds)[4][4], cvm::rvector *_noalias const dl0_out, std::array< cvm::rvector, 4 > *_noalias const dq0_out, std::array< std::array< cvm::rvector, 4 >, 4 > *_noalias const ds_out) const | rotation_derivative | inline |
| calc_derivative_wrt_group1(size_t ia, cvm::rvector *_noalias const dl0_1_out=nullptr, std::array< cvm::rvector, 4 > *_noalias const dq0_1_out=nullptr, std::array< std::array< cvm::rvector, 4 >, 4 > *_noalias const ds_1_out=nullptr) const | rotation_derivative | inline |
| calc_derivative_wrt_group2(size_t ia, cvm::rvector *_noalias const dl0_2_out=nullptr, std::array< cvm::rvector, 4 > *_noalias const dq0_2_out=nullptr, std::array< std::array< cvm::rvector, 4 >, 4 > *_noalias const ds_2_out=nullptr) const | rotation_derivative | inline |
| m_num_atoms_pos1 | rotation_derivative | |
| m_num_atoms_pos2 | rotation_derivative | |
| m_rot | rotation_derivative | |
| pos1x | rotation_derivative | |
| pos1y (defined in rotation_derivative) | rotation_derivative | |
| pos1z (defined in rotation_derivative) | rotation_derivative | |
| pos2x | rotation_derivative | |
| pos2y (defined in rotation_derivative) | rotation_derivative | |
| pos2z (defined in rotation_derivative) | rotation_derivative | |
| prepare_derivative(rotation_derivative_dldq require_dl_dq) | rotation_derivative | inline |
| project_force_to_C_from_dxdq(const dim4_array_t &sum_dxdq) const | rotation_derivative | inline |
| project_force_to_C_from_dxdqi(cvm::real f_on_q) const | rotation_derivative | inline |
| project_force_to_group1(size_t ia, const cvm::rmatrix &dxdC) const | rotation_derivative | inline |
| project_force_to_group2(size_t ia, const cvm::rmatrix &dxdC) const | rotation_derivative | inline |
| rotation_derivative(const cvm::rotation &rot, const cvm::ag_vector_real_t &pos1, const cvm::ag_vector_real_t &pos2, const size_t num_atoms_pos1, const size_t num_atoms_pos2) | rotation_derivative | inline |
| rotation_derivative_impl_(colvar::orientation *orientation_cvc) (defined in colvar::orientation::rotation_derivative_impl_) | colvar::orientation::rotation_derivative_impl_ | inline |
| tmp_Q0Q0 | rotation_derivative | |
| tmp_Q0Q0_L (defined in rotation_derivative) | rotation_derivative |