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MPI-SCATCI
2.0
An MPI version of SCATCI
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Go to the source code of this file.
Data Types | |
| type | baseintegral_module::baseintegral |
| interface | baseintegral_module::generic_initialize |
| interface | baseintegral_module::generic_finalize |
| interface | baseintegral_module::generic_load |
| interface | baseintegral_module::generic_get |
| interface | baseintegral_module::generic_geometries |
| interface | baseintegral_module::generic_destroy |
Modules | |
| module | baseintegral_module |
| Base integral module. | |
Functions/Subroutines | |
| subroutine | baseintegral_module::initialize_base (this, option, num_orbitals, mapping) |
| Initialize the class. More... | |
| subroutine | baseintegral_module::finalize_base (this) |
| Finalize the class. More... | |
| subroutine | baseintegral_module::base_write_header (this, matrix_io, matrix_size) |
| Write data file header. More... | |
| real(wp) function | baseintegral_module::get_integralf (this, integral) |
| Retrieve integral value. More... | |
| real(wp) function | baseintegral_module::get_core_energy (this) |
| Retrieve integral value. More... | |
| integer function | baseintegral_module::get_num_nuclei (this) |
| Retrieve integral value. More... | |