|
MPI-SCATCI
2.0
An MPI version of SCATCI
|
Go to the source code of this file.
Data Types | |
| type | basecorepotential_module::basecorepotential |
| interface | basecorepotential_module::generic_ecp |
| Main build routine of the hamiltonian. More... | |
| interface | basecorepotential_module::generic_input |
| Main build routine of the hamiltonian. More... | |
| interface | basecorepotential_module::generic_energy |
Modules | |
| module | basecorepotential_module |
| Base type for core potentials. | |
Functions/Subroutines | |
| subroutine | basecorepotential_module::construct_core (this, num_target_sym, num_target_per_symmetries, spatial_symmetry, spin_symmetry) |
| subroutine | basecorepotential_module::modify_ecp_diagonal (this, value) |
| subroutine | basecorepotential_module::modify_ecp_diagonal_l2 (this, value) |