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ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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|
ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
|
Go to the source code of this file.
Classes | |
| class | src.psi4io.GBS_Reader |
| Interaction type -> Parameter Dictionary. More... | |
| class | src.psi4io.THCDF_Psi4 |
| class | src.psi4io.Grid_Reader |
| Finite state machine for parsing DVR grid files. More... | |
| class | src.psi4io.RDVR3_Psi4 |
| Subclass of Target for R-DVR3 grid fitting. More... | |
Namespaces | |
| src.psi4io | |
| forcebalance.psi4io | |
| PSI4 force field input/output. | |
Variables | |
| src.psi4io.logger = getLogger(__name__) | |
1.8.13