(git:ccc2433)
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#include "./base/base_uses.f90"
Go to the source code of this file.
Modules | |
module | qs_core_hamiltonian |
Calculation of the core Hamiltonian integral matrix <a|H|b> over Cartesian Gaussian-type functions. | |
Functions/Subroutines | |
subroutine, public | qs_core_hamiltonian::build_core_hamiltonian_matrix (qs_env, calculate_forces) |
Cosntruction of the QS Core Hamiltonian Matrix. More... | |
subroutine, public | qs_core_hamiltonian::dump_info_core_hamiltonian (qs_env, calculate_forces) |
Possibly prints matrices after the construction of the Core Hamiltonian Matrix. More... | |
subroutine, public | qs_core_hamiltonian::qs_matrix_h_allocate_imag_from_real (qs_env) |
(Re-)allocates matrix_h_im from matrix_h More... | |