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Commits on Mar 13, 2017

• Update example and changelog

  sunqm

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Commits on Feb 18, 2017

• Update version info etc

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Commits on Feb 16, 2017

• 1.3 beta release

  sunqm

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Commits on Feb 5, 2017

• Add AVAS mcscf active space construction method

  sunqm

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Commits on Feb 4, 2017

• Tag Molden file with pyscf version

  sunqm

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Commits on Jan 27, 2017

• Bug fix for calculating no. electron of KUHF initial guess

  sunqm

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Commits on Jan 26, 2017

• Update for 1.2.1 release

  sunqm

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Commits on Jan 21, 2017

• Overlap of two CI wavefunctions over different orbital bases

  sunqm

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Commits on Jan 10, 2017

• Add sf-X2C for PBC systems

  sunqm

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Commits on Jan 4, 2017

• Update CHANGELOG

  sunqm

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Commits on Dec 15, 2016

• Remove dynamic-dmet_cas

  sunqm

  committed
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Commits on Dec 5, 2016

• Bug fix for pbc.df module and other relevant updates

  sunqm

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Commits on Nov 17, 2016

• For non-orth lattice, improve the repeated images used by lattice sum

  sunqm

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Commits on Nov 15, 2016

• Add new documents

  sunqm

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Commits on Nov 8, 2016

• Merge branch 'master' of ssh://github.com/sunqm/pyscf into dev

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• pyscf 1.2 release

  sunqm

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Commits on Nov 7, 2016

• Add Selected CI

  sunqm

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Commits on Oct 31, 2016

• Add CISD and CISD density matrices

  sunqm

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Commits on Oct 27, 2016

• Dynamically tune CASSCF active space using dmet-cas decompostion

  sunqm

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Commits on Oct 22, 2016

• Add CIAH SCF solver for PBC KRHF and KUHF

  sunqm

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Commits on Oct 20, 2016

• Change the default kpts mesh (to always include gamma point)

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Commits on Oct 11, 2016

• CI coefficients transformation for one-particle basis rotation

  sunqm

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Commits on Oct 1, 2016

• Update CCSD(T) default log level

  sunqm

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Commits on Sep 15, 2016

• 1.2 beta release

  sunqm

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Commits on Aug 5, 2016

• Alpha 1.2 release

  sunqm

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Commits on Jun 20, 2016

• Added UKS and KUKS. Many DFT functions yet to test

  sunqm

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Commits on Jun 8, 2016

• Add Molecular XDF method and relevant helper functions

  sunqm

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Commits on Jun 6, 2016

• GAMESS WFN format writer

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Commits on Jun 4, 2016

• 1.1 release

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Commits on Mar 8, 2016

• 1.1 alpha-2 release

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Commits on Feb 26, 2016

• Upgrade DFT prune scheme, using Bragg atomic radii as default parameters

  sunqm

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Commits on Feb 15, 2016

• Add CCSD(T); Fix CCSD rdm1 for the missing terms Dov, Dvo

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Commits on Feb 9, 2016

• 1.1 alpha

  sunqm

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Commits on Oct 15, 2015

• Update moleintor for spinor-cartesian mixed 3c2e integrals

  sunqm

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Commits on Oct 12, 2015

• Update readme for 1.0 release

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