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ergo
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Directories | |
| directory | basisset |
| directory | ci |
| directory | densfromf |
| directory | dft |
| directory | electron_dynamics |
| directory | integrals |
| directory | matrix |
| directory | scf |
| directory | test |
| directory | utilities |
| directory | utilities_basic |
Files | |
| file | bin2m.cc |
| A program for conversion of binary matrix file to a matlab format file. | |
| file | config.h [code] |
| file | ergo_input_parser.c |
| The lex input parser. | |
| file | ergo_input_processor.c |
| Parses the input. | |
| file | ergo_input_processor.h [code] |
| file | ergo_scripted.cc |
| The main program for the ergo project. | |
| file | ergo_scripted.h [code] |
| contains ergo input processor definitions. | |
| file | fermi_contact.cc |
| implements "Fermi contact" integrals. | |
| file | license.h [code] |
| file | matrix_typedefs.h [code] |
| Header file with typedefs for matrix and vector types. | |
| file | matrix_typedefs_chtml.h [code] |
| Header file with typedefs for matrix types, using either the hierarchical matrix library (HML) or the Chunks and Tasks matrix library (CHTML). | |
| file | registration.cc |
| Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
| file | registration.h [code] |
| Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
| file | slr.cc |
| contains a Simple Linear Response implementation based on the MO orbital picture. | |
| file | slr.h [code] |
| Contains a Simple Linear Response implementation based on the MO orbital picture. | |
| file | transform.h [code] |