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