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TCMU
TheoCheM
TheoCheM

Table of Contents

Main modules

  • tcmu.results
  • tcmu.job
  • tcmu.analysis
  • Command-line interface (CLI) scripts

Utility modules

  • tcmu.data package
  • tcmu.report package
  • tcmu.analysis package
  • tcmu package

Full API

  • tcmu
  • Overview: module code

All modules for which code is available

  • tcmu.analysis.pyfrag
  • tcmu.analysis.task_specific.irc
  • tcmu.analysis.vdd.charge
  • tcmu.analysis.vdd.manager
  • tcmu.analysis.vibration.ts_vibration
  • tcmu.cache
  • tcmu.cite
  • tcmu.cli_scripts.cite
  • tcmu.cli_scripts.geo
  • tcmu.cli_scripts.workflow
  • tcmu.connect
  • tcmu.data.atom
  • tcmu.data.basis_sets
  • tcmu.data.functionals
  • tcmu.data.molecules
  • tcmu.environment
  • tcmu.errors
  • tcmu.formula
  • tcmu.geometry
  • tcmu.job.adf
  • tcmu.job.ams
  • tcmu.job.crest
  • tcmu.job.dftb
  • tcmu.job.models
  • tcmu.job.nmr
  • tcmu.job.orca
  • tcmu.job.workflow
  • tcmu.job.workflow3
  • tcmu.job.workflow_db
  • tcmu.job.workflow_status
  • tcmu.job.xtb
  • tcmu.log
  • tcmu.molecule
  • tcmu.pathfunc
  • tcmu.report.character
  • tcmu.report.figure_resizer
  • tcmu.report.formatters.generic
  • tcmu.report.formatters.xyz
  • tcmu.report.report
  • tcmu.results.adf
  • tcmu.results.ams
  • tcmu.results.cache
  • tcmu.results.crest
  • tcmu.results.dftb
  • tcmu.results.orca
  • tcmu.results.read
  • tcmu.results.result
  • tcmu.results.xtb
  • tcmu.spell_check
  • tcmu.timer
  • tcmu.typing_utilities

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