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... | |