dqc
stable

Getting started

  • Installation
  • How to contribute
  • Tutorials

Modules

  • Systems (dqc)
  • QCCalc (dqc)
  • Other APIs (dqc)
    • edipole
    • equadrupole
    • get_xc
    • hessian_pos
    • ir_spectrum
    • is_orb_min
    • loadbasis
    • lowest_eival_orb_hessian
    • parse_moldesc
    • raman_spectrum
    • vibration

Submodules

  • Hamilton (dqc.hamilton)
  • XC (dqc.xc)
  • Data structures (dqc.utils)
dqc
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  • Other APIs (dqc)
  • Edit on GitHub

Other APIs (dqc)ΒΆ

  • edipole
  • equadrupole
  • get_xc
  • hessian_pos
  • ir_spectrum
  • is_orb_min
  • loadbasis
  • lowest_eival_orb_hessian
  • parse_moldesc
  • raman_spectrum
  • vibration
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© Copyright 2021, Muhammad Firmansyah Kasim Revision a539cb0a.

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