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PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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| ▼Npawpyseed | |
| ▼Nanalysis | |
| ▼Ncorrections | |
| CDelocalizedStatePerturbationCorrection | |
| CPerturbationCorrection | |
| ▼Ndefect_composition | |
| CBasisExpansion | |
| CBulkCharacter | |
| CPawpyData | |
| ▼Nrun_pawpy | |
| CDefectWorkflowWavefunctionHandle | |
| CDummyFirework | |
| CPathHolder | |
| ▼Ncore | |
| ▼Nmomentum | |
| CMomentumMatrix | |
| ▼Nnoncollinear | |
| CNCLWavefunction | |
| ▼Nprojector | Defines the Projector class for evaluating AE and PS projection operators |
| CProjector | |
| ▼Nutils | Miscellaneous utilities file for the Python portion of the code |
| CPAWpyError | |
| CPAWpyWarning | |
| ▼Nwavefunction | Base class containing Python classes for parsing files and storing and analyzing wavefunction data |
| CCoreRegion | |
| CPseudopotential | |
| CWavefunction | |
| Cband | |
| Cdensity_ft | |
| Cdensity_ft_elem | |
| Cfuncset | |
| Ckpoint | |
| Cppot | |
| Cprojection | |
| Cprojgrid | |
| Cpswf | |
| Crayleigh_set | |
| Creal_proj | |
| Creal_proj_site | |
| Csbt_descriptor | |
| Ctransform_spline | |
| CWAVECAR_FILE |
1.8.11
