comp_chem_py
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Contents:

  • Developer guide
  • comp_chem_utils
  • cpmd_scritps
  • PDOS
comp_chem_py
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  • Python Module Index

Python Module Index

c | p
 
c
- comp_chem_utils
    comp_chem_utils.amino_acids
    comp_chem_utils.conversions
    comp_chem_utils.cpmd_utils
    comp_chem_utils.molecule_data
    comp_chem_utils.mts_md_turbo
    comp_chem_utils.mysql_tables
    comp_chem_utils.pdbfile
    comp_chem_utils.periodic
    comp_chem_utils.physcon
    comp_chem_utils.program_info
    comp_chem_utils.qmmm_utils
    comp_chem_utils.read_gaussian
    comp_chem_utils.sbatch_info
    comp_chem_utils.spectrum
    comp_chem_utils.utils
- cpmd_scripts
    cpmd_scripts.cell_size
    cpmd_scripts.cpmd_spec
    cpmd_scripts.get_cp_group
    cpmd_scripts.read_orbs_info
    cpmd_scripts.vmd_plot_cube
 
p
- PDOS
    PDOS.PDOS_module

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