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Commits

Commits on Nov 7, 2025
- tweak badge to test CI (#3325)
  loriab
  authored
  4ffe047
Commits on Sep 5, 2025
- Records tag for v1.10
  loriab
  committed
  7d505b2
- v1.10
  loriab
  committed
  f2492db
Commits on Sep 1, 2025
- wrap-up for v1.10 (#3319)
  loriab
  authored
  85c5672
Commits on Aug 28, 2025
- Pybind options (#3317)
  
  AlexHeide
  and
  loriab
  authored
  6a874e5
Commits on Aug 18, 2025
- openorbitaloptimizer (#3136)
  
  loriab
  and
  susilehtola
  authored
  d50ba83
Commits on Aug 12, 2025
- QCManyBody in DDD (#3160)
  loriab
  authored
  caf3ec9
Commits on Aug 11, 2025
- SAPT0-D4M (#3172)
  
  Awallace3
  and
  loriab
  authored
  d089223
Commits on Jul 24, 2025
- MP2-F12 (#3110)
  
  EricaCMitchell
  and
  loriab
  authored
  ff7ebba
Commits on Jul 23, 2025
- Add PSI_API for C_DTRSV (#3311)
  
  lcyyork
  and
  loriab
  authored
  49b7f64
- Replace Several Pseudo-Ints In `libdpd` (#3299)
  JonathonMisiewicz
  authored
  13333fc
Commits on Jul 22, 2025
- tidy and document QCVariables intf, throw conv err geometric (#3295)
  loriab
  authored
  1529a1a
- convey libgcc windows (#3308)
  loriab
  authored
  fdb0d58
Commits on Jul 19, 2025
- Luke's 5z tight basis fns bug (#3309)
  loriab
  authored
  1d9cb17
Commits on Jul 18, 2025
- SAPT(DFT) auto compute GRAC (#3232)
  
  authored
  ff5de7c
- Copyright samples (#3306)
  loriab
  authored
  04a252a
Commits on Jul 15, 2025
- Bump Einsums version (#3314)
  
  jturney
  and
  loriab
  authored
  767105d
Commits on Jun 16, 2025
- remove old dftd3 and gcp interfaces (#3302)
  loriab
  authored
  45385bb
- cmake v4 ecosystem (#3305)
  loriab
  authored
  98fd328
Commits on Jun 2, 2025
- Fixes to SCF_TYPE + SCF_SUBTYPE + SCREENING Combinations (#3060)
  
  authored
  ef74630
Commits on May 27, 2025
- Add access to lowdin spins (#3294)
  
  authored
  824e0c9
Commits on May 22, 2025
- Fix EMBPOT Functionality in SCF and Add EMBPOT Gradients (#3239)
  
  authored
  7e18dcd
Commits on May 20, 2025
- expanding external_potential: parsing, take 2 (#3291)
  loriab
  authored
  228c142
Commits on May 15, 2025
- Reuse the JK object from SCF into FISAPT (#3271)
  
  konpat
  and
  loriab
  authored
  a7ea829
- DePointerDPD Warmup: `Dimension` for `cc` (#3288)
  JonathonMisiewicz
  authored
  0040d95
- Update aug-cc-pvtz-dk (#3285)
  
  authored
  e7b1df1
- cmake v4, test more deps w/latest hdf5 and numpy (#3286)
  loriab
  authored
  86f57ed
Commits on May 7, 2025
- Remove Deprecated Code (#3282)
  JonathonMisiewicz
  authored
  2b9265a
Commits on May 5, 2025
- shake up versions and add newly avail for windows (#3281)
  loriab
  authored
  4365043
Commits on Mar 31, 2025
- fix: slience annoying print outs in ip fitting jobs (#3229)
  PhillCli
  authored
  4e3ac8d
Commits on Mar 28, 2025
- Close issue #3274 (#3279)
  JonathonMisiewicz
  authored
  4c07f4f
Commits on Mar 27, 2025
- Fix undefined variables (#3246)
  
  ralf-meyer
  and
  JonathonMisiewicz
  authored
  dcb522f
Commits on Mar 19, 2025
- Fix CI, update QCEl 0.29, QCEn 0.31, and Einsums 0.6.1 (#3262)
  loriab
  authored
  0df5928
Commits on Feb 27, 2025
- Need to include cstdint in qt.h to fix "error: ‘uint64_t’ does not name a type" with GCC 15.0.1. (#3268)
  susilehtola
  authored
  1869a5f
Commits on Feb 14, 2025
- Saptdft reuse jk for scf (#3256)
  
  authored
  cda088e

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