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Commits

Commits on Feb 14, 2024
- AM symbol list (#3130)
  loriab
  authored
  9dbdd59
Commits on Feb 6, 2024
- Touch up block_matrix in libciomr (#3104)
  TiborGY
  authored
  f20a7c6
- use throw PSIEXCEPTION instead of exit(1) in DPD (#3117)
  TiborGY
  authored
  39403e6
Commits on Feb 5, 2024
- Drop the default definition of a H2 molecule. (#3116)
  
  susilehtola
  and
  loriab
  authored
  8301b7a
- resolve more paths (#3127)
  loriab
  authored
  3bb2c6a
Commits on Jan 19, 2024
- update copyright (#3122)
  ipberry
  authored
  e105cc2
Commits on Jan 18, 2024
- choose libint v2.8.1 (#3107)
  loriab
  authored
  e65c82b
Commits on Dec 19, 2023
- fix libxc min (#3103)
  loriab
  authored
  49ce400
Commits on Dec 18, 2023
- SAPT0 CPHF Uniform Treatment (#3105)
  
  Awallace3
  and
  loriab
  authored
  79ac936
Commits on Dec 7, 2023
- Fix Python3 compatibility in vmd_cube.py (#3097)
  q-posev
  authored
  71abdab
Commits on Dec 6, 2023
- Records tag for v1.9
  loriab
  committed
  ec6622d
- v1.9
  loriab
  committed
  d99b642
Commits on Dec 5, 2023
- pre v1.9 misc (#3095)
  loriab
  authored
  99633bb
- Adds r2SCAN hybrids; r2SCAN-3c and B97-3c (#2842)
  
  hokru
  and
  loriab
  authored
  6c81789
Commits on Dec 4, 2023
- A couple of CompositeJK doc updates (#3079)
  
  David Poole
  and
  David Poole
  authored
  8e4ee09
- Throw exceptions for broken JK+SCREENING combos (#3081)
  
  authored
  7cd0312
Commits on Dec 3, 2023
- try minimally changed Libint2 (#3047)
  loriab
  authored
  fb6ca99
- Created variable and method for storing and retrieving the gradients … (#3087)
  
  authored
  f2246eb
Commits on Dec 1, 2023
- qcfractal v0.52 (#3090)
  loriab
  authored
  2f2fe6b
- postrelease documentation (#3059)
  loriab
  authored
  bcdf520
- Disable cmake policy (#3089)
  fevangelista
  authored
  283ec8d
Commits on Nov 29, 2023
- clean up leftover PRAGMA_WARNING manipulations from deboosting (#3088)
  TiborGY
  authored
  846597a
Commits on Nov 28, 2023
- Update util.py (#3086)
  philipmnel
  authored
  4242341
Commits on Nov 27, 2023
- build helper, take 2 (#3021)
  loriab
  authored
  20ef2df
Commits on Nov 23, 2023
- Turning off FDDS disp when SAPT_DFT_FUNCTIONAL = HF (#3080)
  carolinesargent
  authored
  74a3fa4
Commits on Nov 22, 2023
- Renovate Dimension object (#2953)
  
  TiborGY
  and
  fevangelista
  authored
  991aa25
Commits on Nov 21, 2023
- Scf guess test (#3052)
  
  Awallace3
  and
  loriab
  authored
  e3d4631
- Move variables before if/else (#3078)
  EricaCMitchell
  authored
  cfe677e
- fix printing in scf_grad.cc (#3082)
  philipmnel
  authored
  d61029e
Commits on Nov 14, 2023
- Modernize BasisSet::print_detail_cfour (#2937)
  TiborGY
  authored
  0d54746
Commits on Nov 13, 2023
- COSX Grid Handling Improvements (#3032)
  David Poole
  authored
  289d095
Commits on Nov 8, 2023
- Fixes building from source (#3073)
  jturney
  authored
  325402f
Commits on Nov 6, 2023
- add Einsums to build system (#3050)
  
  loriab
  and
  jturney
  authored
  dfe7fe8
Commits on Nov 3, 2023
- try new qcfractal 0.50 (#3049)
  loriab
  authored
  cf2c6ad
Commits on Oct 26, 2023
- make `psi4 --version` faster (#3064)
  loriab
  authored
  df9a0dd

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Commits on Nov 14, 2023

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Commits on Nov 8, 2023

Commits on Nov 6, 2023

Commits on Nov 3, 2023

Commits on Oct 26, 2023