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Commits

Commits on Nov 27, 2021
- Added diis to integral options
  Avery Wiens
  committed
  33f860e
- Removed stray reference to molecule (instead of self.mol)
  Avery Wiens
  committed
  92002ea
Commits on Apr 22, 2017
- finished rpa project
  Avery Wiens
  committed
  c67bf8e
Commits on Apr 7, 2017
- deleted a line
  Avery Wiens
  committed
  2241ae1
Commits on Apr 5, 2017
- added density fitting as option to mp2 object
  Avery Wiens
  committed
  f356e6b
- updated gitignore
  Avery Wiens
  committed
  f97c6c5
- finished cepa0 project (a while ago ha)
  Avery Wiens
  committed
  ac00eb3
- saved fock matrix as uhf class variable
  Avery Wiens
  committed
  b59f8ff
- cleaned up ccd project
  Avery Wiens
  committed
  02542fe
Commits on Feb 23, 2017
- changed printing options
  Avery Wiens
  committed
  8ca96b6
- completed df-mp2 project
  Avery Wiens
  committed
  2062b7f
Commits on Feb 20, 2017
- finished mp2 project -- spin orbital code
  Avery Wiens
  committed
  9f5af69
Commits on Feb 9, 2017
- this is how i turned the project in
  Avery Wiens
  committed
  dd34376
- finished diis programming project
  Avery Wiens
  committed
  0e3d7d8
Commits on Feb 8, 2017
- uhf diis is working
  Avery Wiens
  committed
  3f16489
Commits on Feb 5, 2017
- got rid of unnecessary class variables
  Avery Wiens
  committed
  9a72f17
- using psi4 instead of scipy linalg
  Avery Wiens
  committed
  e3d7a91
- np.zeros_like function, looks nicer than before
  Avery Wiens
  committed
  f3410dd
- silenced uhf printing for when it's imported
  Avery Wiens
  committed
  fa46f8a
- finished integral code -- works for arbitrary AM i think
  Avery Wiens
  committed
  40ff749
- decided to save psi4 integrals as class variables
  Avery Wiens
  committed
  31b4062
Commits on Feb 1, 2017
- integral project -- working for overlap
  Avery Wiens
  committed
  600d60e
- rearranged class variables
  Avery Wiens
  committed
  fe54589
- messed with things
  Avery Wiens
  committed
  7061ffe
- cleaned up uhf class
  Avery Wiens
  committed
  7cd8bbf
Commits on Jan 31, 2017
- working for x,y,z matrices
  Avery Wiens
  committed
  bc21407
- updated gitignore
  Avery Wiens
  committed
  4da5e04
- project 1 UHF -- done
  Avery Wiens
  committed
  4e266c7
Commits on Jan 9, 2017
- moved tests directory to the right place
  Avery Wiens
  committed
  02f37ea
- first programming project with 3 test cases
  Avery Wiens
  committed
  e95d0ce
- working uhf code
  Avery Wiens
  committed
  fb4d013

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Commits on Nov 27, 2021

Commits on Apr 22, 2017

Commits on Apr 7, 2017

Commits on Apr 5, 2017

Commits on Feb 23, 2017

Commits on Feb 20, 2017

Commits on Feb 9, 2017

Commits on Feb 8, 2017

Commits on Feb 5, 2017

Commits on Feb 1, 2017

Commits on Jan 31, 2017

Commits on Jan 9, 2017