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0.1.0

QUICK START:

  • 1. Installation
  • 2. Examples

USER DOCUMENTATION:

  • 1. System
  • 2. Hartree-Fock
  • 3. Configuration Interaction
  • 4. Coupled-Cluster
  • 5. Perturbation Theory
  • 6. Property

DEVELOPER DOCUMENTATION:

  • 1. Sphinx
  • 2. API
moha
  • »
  • Overview: module code

All modules for which code is available

  • moha.hf.auxiliary
  • moha.hf.hf_wavefunction
  • moha.hf.scf
  • moha.hf.scf_diis
  • moha.io.iobasis
  • moha.io.iofcidump
  • moha.io.iogeometry
  • moha.io.iomolden
  • moha.io.iosystem
  • moha.posthf.cc.auxiliary
  • moha.posthf.cc.ccsd
  • moha.posthf.cc.ccsd_t
  • moha.posthf.ci.ci_basis_set
  • moha.posthf.ci.ci_operator
  • moha.posthf.ci.ci_wavefunction
  • moha.posthf.ci.cis
  • moha.posthf.ci.cisd
  • moha.posthf.ci.fci
  • moha.posthf.ci.slater
  • moha.posthf.pt.auxiliary
  • moha.posthf.pt.mp2
  • moha.posthf.pt.mp3
  • moha.property.auxiliary
  • moha.property.excitation_energy
  • moha.property.multipole_moment
  • moha.property.population_analysis
  • moha.symmetry.symmetry
  • moha.system.atom
  • moha.system.auxiliary
  • moha.system.basis.basis_set
  • moha.system.basis.gaussian_orbital
  • moha.system.hamiltonian.abc
  • moha.system.hamiltonian.base
  • moha.system.hamiltonian.chemical_hamiltonian
  • moha.system.integral.angular_momentum
  • moha.system.integral.differential
  • moha.system.integral.electron_repulsion
  • moha.system.integral.kinetic
  • moha.system.integral.linear_momentum
  • moha.system.integral.multipole_moment
  • moha.system.integral.nuclear_attraction
  • moha.system.integral.overlap
  • moha.system.molecule
  • moha.system.operator.base
  • moha.system.operator.one_electron
  • moha.system.operator.two_electron
  • moha.system.operator.zero_electron
  • moha.system.periodic
  • moha.system.wavefunction.abc
  • moha.system.wavefunction.base

© Copyright 2022, Yilin Zhao.

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