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Tools

  • EON Helpers
    • Splitting con files
    • Generators for NWChem
    • Plotting NEB paths
    • Polyhedral Template Matcher
  • Prefix Helpers
    • Prefix Channel Package Deletion

Reference

  • Changelog
  • rgpycrumbs Design & Architecture Notes
  • API Reference
    • helpers
    • rgpycrumbs
      • rgpycrumbs._aux
      • rgpycrumbs.cli
      • rgpycrumbs.eon
        • rgpycrumbs.eon.con_splitter
        • rgpycrumbs.eon.generate_nwchem_input
        • rgpycrumbs.eon.plt_neb
        • rgpycrumbs.eon.ptmdisp
      • rgpycrumbs.func
        • rgpycrumbs.func.muller_brown
      • rgpycrumbs.parsers
        • rgpycrumbs.parsers.bless
        • rgpycrumbs.parsers.common
      • rgpycrumbs.plumed
        • rgpycrumbs.plumed.direct_reconstruction
      • rgpycrumbs.prefix
        • rgpycrumbs.prefix.delete_packages
      • rgpycrumbs.xts
        • rgpycrumbs.xts.cuh2
        • rgpycrumbs.xts.saddle

On this page

  • Attributes
  • Functions
  • Module Contents
    • TRUE_E_DAT
    • CUH2_MIN
    • plot_band()
    • parser
  1. rgpycrumbs /
  2. API Reference /
  3. rgpycrumbs /
  4. rgpycrumbs.xts /
  5. rgpycrumbs.xts.saddle /
  6. rgpycrumbs.xts.saddle.cuh2
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rgpycrumbs.xts.saddle.cuh2¶

Attributes¶

TRUE_E_DAT

CUH2_MIN

parser

Functions¶

plot_band(_index, _band, _k[, _method, _opt, _ci])

Module Contents¶

rgpycrumbs.xts.saddle.cuh2.TRUE_E_DAT[source]¶
rgpycrumbs.xts.saddle.cuh2.CUH2_MIN[source]¶
rgpycrumbs.xts.saddle.cuh2.plot_band(_index, _band, _k, _method='xts', _opt='SD', _ci='False')[source]¶
rgpycrumbs.xts.saddle.cuh2.parser[source]¶
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