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Commits on Apr 9, 2024

• fix pbc df with KPoints input

  

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Commits on Feb 22, 2024

• multigrid DFT version 2 (#2078)

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Commits on Feb 5, 2024

• fix cp2k basis parse (issue #2043) (#2045)

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Commits on Nov 16, 2023

• Fix PBC DFT Becke grid rounding error (#1960)

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Commits on Oct 31, 2023

• fix get_bands with k-point symmetry

  

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Commits on Oct 19, 2023

• Allow to turn off AO symmetry for PBC KS calculations (#1905)

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Commits on Aug 7, 2023

• Fix pbc empty cell error (#1821)

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Commits on Jul 13, 2023

• fix supercell with symmetry (#1773)

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Commits on Jul 4, 2023

• Allow Gaussian MM charges (#1677)

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Commits on Feb 7, 2023

• fix k-point symmetry adapted KS-DFT with Newton solver (issue #1462)

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Commits on Jan 28, 2023

• fix phase error for k-point symmetry (issue #1582)

  

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Commits on Jan 26, 2023

• Various updates for k-point symmetry related stuffs (#1578)

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Commits on Dec 12, 2022

• fix numpy_helper.hermi_sum (issue #1537)

  

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Commits on Nov 3, 2022

• Merge pull request #1467 from susilehtola/libxc6_stable

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Commits on Oct 17, 2022

• update DFT example (fix issue #1466)

  

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Commits on Sep 29, 2022

• Merge pull request #1442 from sunqm/empty-scf-in-mcscf

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• Merge pull request #1434 from BoothGroup/PR/rsdf_with_ksymm

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• Merge pull request #1440 from sunqm/dimension-bug

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Commits on Sep 19, 2022

• Merge pull request #1429 from sunqm/mdf-accuracy

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Commits on Sep 7, 2022

• fix warning print

  

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Commits on Aug 30, 2022

• Merge pull request #1390 from sunqm/fix-scs-mp2

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• k-point symmetry for mean-field methods and mp2 (#772)

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Commits on Aug 29, 2022

• Merge pull request #1384 from sunqm/cint-version

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Commits on Aug 25, 2022

• Merge pull request #1376 from hczhai/dev

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• Merge pull request #1211 from xinxing02/master

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Commits on Aug 24, 2022

• Merge pull request #1379 from verena-neufeld/fix_some_pbc_examples

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Commits on Jul 22, 2022

• Merge pull request #1284 from BoothGroup/PR/allow_ghost_atom_same_coords

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• Merge pull request #1311 from hebrewsnabla/chemcore

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• Merge pull request #1286 from BoothGroup/PR/expose_with_frozen_kw_in_ccsd_make_rdm

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• Merge pull request #1323 from AllanChain/fix/casci-64-orb

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• Merge pull request #1322 from cychow2/master

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• Merge pull request #1338 from pyscf/gkc1000-patch-1

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Commits on Jun 9, 2022

• Merge pull request #1282 from Unathi-Skosana/master

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Commits on May 12, 2022

• Merge pull request #1248 from sunqm/int8_t

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Commits on Apr 25, 2022

• Merge pull request #1242 from basilib/master

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