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ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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Go to the source code of this file.
Classes | |
| class | src.custom_io.Gen_Reader |
| Finite state machine for parsing custom GROMACS force field files. More... | |
Namespaces | |
| src.custom_io | |
| forcebalance.custom_io | |
| Custom force field parser. | |
Variables | |
| list | src.custom_io.cptypes = [None, 'CPGAUSS', 'CPEXPG', 'CPGEXP'] |
| Types of counterpoise correction. More... | |
| list | src.custom_io.ndtypes = [None] |
| Types of NDDO correction. More... | |
| dictionary | src.custom_io.fdict |
| Section -> Interaction type dictionary. More... | |
| dictionary | src.custom_io.pdict |
| Interaction type -> Parameter Dictionary. More... | |
1.8.13