Commits

Branch selector

 master

User selector

All users

All time

Commit History

Commits on Apr 7, 2026

• implements "none" option (#165)

  Show description for 8100524
  ryanmrichard

  authored
  8100524

  Copy full SHA for 8100524

Commits on Apr 2, 2026

• Updates error model (#164)

  Show description for 7db32c4
  ryanmrichard

  authored
  7db32c4

  Copy full SHA for 7db32c4

Commits on Apr 1, 2026

• Matches Libint's Screening (#163)

  Show description for b7e6d08
  ryanmrichard

  authored
  b7e6d08

  Copy full SHA for b7e6d08

Commits on Mar 31, 2026

• Build ERIs from primitive quartets (#162)

  Show description for 3e3b81b
  ryanmrichard

  authored
  3e3b81b

  Copy full SHA for 3e3b81b

Commits on Mar 24, 2026

• add ability to use tolerance as estimate (#160)

  ryanmrichard

  authored
  00fe9fa

  Copy full SHA for 00fe9fa

Commits on Mar 16, 2026

• find libint or build v2.11.0 (#159)

  jwaldrop107

  authored
  2747944

  Copy full SHA for 2747944

• Atom Blocking of QCUP (#158)

  Show description for f448338
  ryanmrichard

  authored
  f448338

  Copy full SHA for f448338

Commits on Mar 4, 2026

• Add different means for QCUP (#157)

  Show description for 9b4cd97
  ryanmrichard

  authored
  9b4cd97

  Copy full SHA for 9b4cd97

Commits on Mar 3, 2026

• more tests for QCUP (#156)

  ryanmrichard

  authored
  4d039c0

  Copy full SHA for 4d039c0

Commits on Feb 24, 2026

• Adds a UQ model for primitive screening (#155)

  Show description for 67e074a
  ryanmrichard

  authored
  67e074a

  Copy full SHA for 67e074a

Commits on Feb 20, 2026

• Update operator accessing (#154)

  jwaldrop107

  authored
  3274ae5

  Copy full SHA for 3274ae5

Commits on Jan 31, 2026

• Changes for TW API Break (#152)

  Show description for 1dc3f16
  ryanmrichard

  authored
  1dc3f16

  Copy full SHA for 1dc3f16

Commits on Jan 21, 2026

• Python Bindings for Decontract Basis Set (#153)

  Show description for 89b65a1
  jwaldrop107

  authored
  89b65a1

  Copy full SHA for 89b65a1

Commits on Jan 20, 2026

• Decontract Basis Set Module (#150)

  Show description for 6a7f0a1
  jwaldrop107

  authored
  6a7f0a1

  Copy full SHA for 6a7f0a1

Commits on Jan 7, 2026

• Find Libint, don't try to build (#151)

  jwaldrop107

  authored
  157dd8f

  Copy full SHA for 157dd8f

Commits on Dec 11, 2025

• Remove nwx_versions reference (#149)

  jwaldrop107

  authored
  cf66f32

  Copy full SHA for cf66f32

Commits on Dec 10, 2025

• Adds nightly GHA workflow to test build; Add nightly workflow badge to README.md (#148)

  jwaldrop107

  authored
  c3bbf5a

  Copy full SHA for c3bbf5a

Commits on Dec 4, 2025

• Fixes compiler error. (#147)

  Show description for c3baef2
  ryanmrichard

  authored
  c3baef2

  Copy full SHA for c3baef2

Commits on Nov 20, 2025

• Set cpp standard; workflow updates (#146)

  jwaldrop107

  authored
  f5b45a4

  Copy full SHA for f5b45a4

Commits on Sep 12, 2025

• OpenMP Threading (#145)

  Show description for c3c876d
  

  3 peopleauthored
  c3c876d

  Copy full SHA for c3c876d

Commits on Aug 12, 2025

• remove stale workflow input (#144)

  jwaldrop107

  authored
  4577f63

  Copy full SHA for 4577f63

Commits on Aug 11, 2025

• fixes from pre-commit (#143)

  jwaldrop107

  authored
  becfa38

  Copy full SHA for becfa38

Commits on Aug 1, 2025

• update GHA workflows (#142)

  jwaldrop107

  authored
  cd0f097

  Copy full SHA for cd0f097

Commits on Apr 22, 2025

• Buffer API update (#141)

  Show description for 84a1557
  

  jwaldrop107

  and

  github-actions[bot]

  authored
  84a1557

  Copy full SHA for 84a1557

Commits on Apr 10, 2025

• aos_squared is std::pair (#140)

  jwaldrop107

  authored
  961f83e

  Copy full SHA for 961f83e

Commits on Mar 20, 2025

• Module for using analytic ERI error as UQ (#139)

  Show description for eb47224
  

  ryanmrichard

  and

  github-actions[bot]

  authored
  eb47224

  Copy full SHA for eb47224

Commits on Mar 6, 2025

• Use floating point dispatch in Coulomb metric module (#138)

  jwaldrop107

  authored
  39c84ad

  Copy full SHA for 39c84ad

Commits on Mar 5, 2025

• Density Fitting Modules (#135)

  Show description for 289cbf4
  

  jwaldrop107

  and

  github-actions[bot]

  authored
  289cbf4

  Copy full SHA for 289cbf4

Commits on Mar 4, 2025

• works with new TW API (#137)

  ryanmrichard

  authored
  68e9f14

  Copy full SHA for 68e9f14

Commits on Mar 2, 2025

• corrects the CMake option for enabling sigma support (#136)

  jwaldrop107

  authored
  1dccfb1

  Copy full SHA for 1dccfb1

Commits on Feb 14, 2025

• AO Integrals (#134)

  Show description for a281194
  

  jwaldrop107

  and

  github-actions[bot]

  authored
  a281194

  Copy full SHA for a281194

Commits on Feb 11, 2025

• Renames aointegrals to libint (#133)

  Show description for a7eed07
  

  ryanmrichard

  and

  github-actions[bot]

  authored
  a7eed07

  Copy full SHA for a7eed07

Commits on Feb 10, 2025

• Adds Sigma (#132)

  Show description for 4e01e08
  

  3 peopleauthored
  4e01e08

  Copy full SHA for 4e01e08

Commits on Dec 16, 2024

• adds overlap integral (#131)

  Show description for 5813f49
  

  ryanmrichard

  and

  github-actions[bot]

  authored
  5813f49

  Copy full SHA for 5813f49

Commits on Dec 11, 2024

• Evaluate `OperatorBase` Instances (#130)

  Show description for 5890f6d
  

  jwaldrop107

  and

  github-actions[bot]

  authored
  5890f6d

  Copy full SHA for 5890f6d