Libra

1.0

Contents:

libra_py
- dynamics
- models
- workflows
  - nbra
    - compute_hprime
    - compute_properties
    - decoherence_times
    - lz
    - mapping
    - qsh
    - step2
    - step2_analysis
    - step2_dftb
    - step2_ergoscf
    - step2_many_body
    - step3
    - step4
    - Indices and tables
- acf
- autoconnect
- build
- CP2K_methods
- cube_file_methods
- data_conv
- data_outs
- data_read
- data_savers
- data_stat
- DFTB_methods
- dynamics_plotting
- ERGO_methods
- fgr_py
- fit
- fix_motion
- ft
- Gaussian_methods
- hpc_utils
- hungarian
- influence_spectrum
- init_ensembles
- init_system
- LAMMPS_methods
- LoadGAFF
- LoadMMFF94
- LoadMolecule
- LoadPT
- LoadTRIPOS
- LoadUFF
- namd
- normal_modes
- nve_md
- parse_gamess
- pdos
- probabilities
- QE_methods
- QE_utils
- regexlib
- scan
- scf
- tsh
- tsh_stat
- unavioded
- units
- vesta2qe

Libra

libra_py
workflows
nbra
step2_dftb
View page source

step2_dftb

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© Copyright 2019, Alexey V. Akimov.

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