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FermiLink · Project Optimization
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FermiLink · Project Optimization
  • Lammps — optimization runs
    • Optimization Report — lammps-bond
      • Iteration 0001 — 911f06a50100 (accepted)
      • Iteration 0003 — 4a79c588ea08 (accepted)
      • Iteration 0010 — cf4ba8e7204d (accepted)
      • Iteration 0011 — 672cbe901cae (accepted)
      • Iteration 0012 — 0826ffd39444 (accepted)
      • Iteration 0013 — 30584dbe2ab0 (accepted)
      • Iteration 0025 — bf07f28c4118 (accepted)
    • Optimization Report — lammps-neighbor
      • Iteration 0002 — 32b495fdb66b (accepted)
      • Iteration 0003 — 380bf2b0146b (accepted)
      • Iteration 0006 — c4128d3970b2 (accepted)
      • Iteration 0011 — 8c29b124a2c6 (accepted)
      • Iteration 0018 — 08f5ab4a4e02 (accepted)
      • Iteration 0019 — 11db74893452 (accepted)
    • Optimization Report — lammps-tip4p
      • Iteration 0003 — 3a45586c8afa (accepted)
      • Iteration 0011 — 2a0b902a8b5a (accepted)
      • Iteration 0016 — ab55ea3e8508 (accepted)
      • Iteration 0021 — 2599e1f9f4c8 (accepted)
      • Iteration 0026 — 4cbc0fa85603 (accepted)
      • Iteration 0027 — 5840dac0d9f1 (accepted)
  • Pyscf — optimization runs
    • Optimization Report — pyscf-casscf
      • Iteration 0007 — 2eb53381cda9 (accepted)
      • Iteration 0008 — 7193e2b76d2b (accepted)
      • Iteration 0011 — 334a40a0e17c (accepted)
      • Iteration 0013 — 911063b081d2 (accepted)
    • Optimization Report — pyscf-davidson
      • Iteration 0001 — b93246c4bf06 (accepted)
      • Iteration 0002 — e159c73ee967 (accepted)
      • Iteration 0005 — ccc6bedc3559 (accepted)
      • Iteration 0006 — 7612d6ba4e26 (accepted)
      • Iteration 0007 — c1e86bf88a7c (accepted)
      • Iteration 0010 — 64da7449ef1c (accepted)
    • Optimization Report — pyscf-diis_scf
      • Iteration 0002 — 3fc6d11adee9 (accepted)
      • Iteration 0008 — a5198fab0782 (accepted)
      • Iteration 0012 — 89eac5279c1a (accepted)
      • Iteration 0015 — 14eae176b837 (accepted)
      • Iteration 0019 — 8d8a60d41b1b (accepted)
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