Old Revisions

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  • 2025/09/25 13:22 The SCF program – RHF only high-spin doll +271 B (current)
  • 2025/09/25 11:56 Show differences to current revisions The SCF program – update spin+irrep doll +17 B
  • 2025/09/24 14:44 Show differences to current revisions The SCF program – update spin+irrep doll +28 B
  • 2024/07/12 08:37 Show differences to current revisions The SCF program – external edit 127.0.0.1 +48 KB
  • 2022/01/25 17:48 Show differences to current revisions The SCF program – [Quadratic optimization of the AVAS orbitals] kreplin -2 B
  • 2022/01/25 17:47 Show differences to current revisions The SCF program – [Quadratic optimization of the AVAS orbitals] kreplin +10 B
  • 2022/01/25 17:47 Show differences to current revisions The SCF program – [Quadratic optimization of the AVAS orbitals] kreplin +3 B
  • 2022/01/25 17:43 Show differences to current revisions The SCF program – [Options for the SO-SCI optimization] kreplin -724 B
  • 2022/01/25 17:31 Show differences to current revisions The SCF program – [Density fitting Hartree-Fock] kreplin -37 B
  • 2022/01/25 17:30 Show differences to current revisions The SCF program – [Density fitting Hartree-Fock] kreplin +16 B
  • 2022/01/25 17:29 Show differences to current revisions The SCF program – [Configuration-averaged Hartree-Fock (CAHF or DF-CAHF)] kreplin -6 B
  • 2022/01/25 17:28 Show differences to current revisions The SCF program – [Configuration-averaged Hartree-Fock (CAHF or DF-CAHF)] kreplin +188 B
  • 2022/01/25 17:24 Show differences to current revisions The SCF program – [Configuration-averaged Hartree-Fock (CAHF or DF-CAHF)] kreplin +8 B
  • 2022/01/13 15:24 Show differences to current revisions The SCF program – [Configuration-averaged Hartree-Fock (CAHF or DF-CAHF)] kreplin +201 B
  • 2022/01/13 15:21 Show differences to current revisions The SCF program – [Configuration-averaged Hartree-Fock (CAHF or DF-CAHF)] kreplin -225 B
  • 2022/01/13 15:21 Show differences to current revisions The SCF program – [The SCF program] kreplin ±0 B
  • 2022/01/13 15:21 Show differences to current revisions The SCF program – [The SCF program] kreplin +25 B
  • 2022/01/13 15:20 Show differences to current revisions The SCF program – [The SCF program] kreplin -8 B
  • 2022/01/13 15:19 Show differences to current revisions The SCF program – [The SCF program] kreplin +87 B
  • 2022/01/13 15:17 Show differences to current revisions The SCF program – [Options for the SO-SCI optimization] kreplin +37 B