MADNESS
0.10.1
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Public Member Functions | |
potentials (World &world, const std::size_t nmo) | |
void | transform (const Tensor< double_complex > &U) |
Public Attributes | |
std::vector< complex_function_3d > | diamagnetic_mo |
std::vector< complex_function_3d > | J_mo |
std::vector< complex_function_3d > | K_mo |
std::vector< complex_function_3d > | lz_commutator |
std::vector< complex_function_3d > | lz_mo |
std::vector< complex_function_3d > | spin_zeeman_mo |
std::vector< complex_function_3d > | vnuc_mo |
std::vector< complex_function_3d > | zeeman_R_comm |
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inline |
References diamagnetic_mo, J_mo, K_mo, lz_mo, spin_zeeman_mo, vnuc_mo, madness::NemoBase::world, and zeeman_R_comm.
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inline |
References diamagnetic_mo, J_mo, K_mo, lz_mo, spin_zeeman_mo, transform(), vnuc_mo, madness::NemoBase::world, and zeeman_R_comm.
Referenced by madness::Znemo::canonicalize().
std::vector<complex_function_3d> madness::Znemo::potentials::diamagnetic_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::J_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::K_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::lz_commutator |
std::vector<complex_function_3d> madness::Znemo::potentials::lz_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::spin_zeeman_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::vnuc_mo |
std::vector<complex_function_3d> madness::Znemo::potentials::zeeman_R_comm |