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Commits on Jan 7, 2025

• Clean up UHF

  gustavojra

  committed
  f9b2a67

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Commits on Jul 6, 2023

• ecCCSD finally working!

  gustavojra

  committed
  c288089

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• Clean up CI module, made DetOperations a submodule for better organization

  gustavojra

  committed
  cbe4a0c

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Commits on Jul 3, 2023

• Starting to reimplement ecCC methods, skeleton is placed

  gustavojra

  committed
  43cdfb8

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• New implementations of FCI, using sparse algorithm and by approximating with ACI

  gustavojra

  committed
  d1390f4

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Commits on Sep 15, 2022

• Merge branch 'FermiQC:master' into master

  gustavojra

  authored
  1a682ac

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Commits on Jul 25, 2022

• increased test coverage, small doc change

  hfmull

  committed
  a86b704

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Commits on Jul 23, 2022

• fixed RHFgrad indexing

  hfmull

  committed
  f9ba691

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• Merge remote-tracking branch 'upstream/master'

  hfmull

  committed
  6e36a45

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Commits on Jul 22, 2022

• Fix issue with nuclear repulsion

  gustavojra

  committed
  b557df4

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• Fix directhelper, needs optimization to remove repeated basis set creating

  gustavojra

  committed
  4905254

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• Merge branch 'FCI' of github.com:gustavojra/Fermi.jl into FCI

  gustavojra

  committed
  fadf046

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• Rearranging fci code

  gustavojra

  committed
  b228b8b

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Commits on Jul 21, 2022

• Merge branch 'FCI' into master

  gustavojra

  authored
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Commits on Jul 18, 2022

• FCI working, tests implemented for FCI and FCI+frozen virtuals. Need work on frozen core still

  gustavojra

  committed
  27f7db5

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• Adapt to changes in GaussianBasis. Update dependencies

  gustavojra

  committed
  7f500f1

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Commits on Jul 15, 2022

• Merge branch 'FermiQC:master' into master

  gustavojra

  authored
  4bdde1b

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Commits on Jul 2, 2022

• Update finite differences to work with new Molecules format

  hfmull

  committed
  ab248fd

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Commits on Jun 29, 2022

• Backuping files, needs cleaning

  gustavojra

  committed
  045eb1c

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Commits on Jun 25, 2022

• Gradient macro for analytic and findif with tests

  hfmull

  committed
  1008a19

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Commits on Jun 22, 2022

• Merge branch 'master' into gradients

  hfmull

  committed
  c0cfe45

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Commits on Jun 21, 2022

• fixed tests and documentation

  hfmull

  committed
  51601c6

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• inital commit for gradients macro

  hfmull

  committed
  e7de341

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Commits on Jun 20, 2022

• cleanup

  hfmull

  committed
  931e21b

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• Merge branch 'master' of https://github.com/hfmull/Fermi.jl

  hfmull

  committed
  3cf51d6

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• remove Vnuc field from Molecule struct

  hfmull

  committed
  362bfe6

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Commits on Jun 13, 2022

• Jacob sweep working thank god

  gustavojra

  committed
  11ba617

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Commits on Jun 9, 2022

• Rotation loop created, but it seems to be stuck

  gustavojra

  committed
  c603837

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Commits on Jun 2, 2022

• FCI working

  gustavojra

  committed
  06f2b3b

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Commits on Jun 1, 2022

• FCI working, needs optimization using some sort of tree

  gustavojra

  committed
  21c688a

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Commits on May 27, 2022

• mulliken charges implemented

  gustavojra

  committed
  f67d31a

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Commits on May 26, 2022

• Clean up FCI file

  gustavojra

  committed
  d84aae4

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Commits on May 25, 2022

• sigma implemented. Need a solver for the eigenvalue problem

  gustavojra

  committed
  21ca98f

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Commits on May 24, 2022

• Basic CI files created. sigma functions under construction

  gustavojra

  committed
  edb8ee1

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Commits on May 23, 2022

• FCI started up!

  gustavojra

  committed
  0aee284

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