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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
|
This is the complete list of members for src.moments.Moments, including all inherited members.
| __init__(self, options, tgt_opts, forcefield) | src.moments.Moments | |
| calc_moments | src.moments.Moments | |
| denoms | src.moments.Moments | |
| engine | src.moments.Moments | |
| get(self, mvals, AGrad=False, AHess=False) | src.moments.Moments | |
| indicate(self) | src.moments.Moments | |
| loop_over_snapshots | src.moments.Moments | |
| mfnm | src.moments.Moments | |
| na | src.moments.Moments | |
| objective | src.moments.Moments | |
| read_reference_data(self) | src.moments.Moments | |
| ref_eigvals | src.moments.Moments | |
| ref_eigvecs | src.moments.Moments | |
| ref_moments | src.moments.Moments | |
| unpack_moments(self, moment_dict) | src.moments.Moments |
1.8.13