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Adding wavefunction rotation subroutine NWChem_CI #201: Commit 073337f pushed by hjjvandam
January 2, 2025 21:57 3h 18m 53s noft1
noft1
January 2, 2025 21:57 3h 18m 53s
Adding wavefunction swapper NWChem_CI #200: Commit 8d533a9 pushed by hjjvandam
January 2, 2025 21:30 2h 16m 6s noft1
noft1
January 2, 2025 21:30 2h 16m 6s
Fleshed out the Monte Carlo solver NWChem_CI #199: Commit 02365a0 pushed by hjjvandam
January 1, 2025 22:00 1h 59m 16s noft1
noft1
January 1, 2025 22:00 1h 59m 16s
Add energy evaluation API. NWChem_CI #198: Commit 486f515 pushed by hjjvandam
January 1, 2025 20:11 1h 56m 42s noft1
noft1
January 1, 2025 20:11 1h 56m 42s
Adding rotation calculation NWChem_CI #197: Commit ddf9d64 pushed by hjjvandam
January 1, 2025 16:46 2h 3m 40s noft1
noft1
January 1, 2025 16:46 2h 3m 40s
Adding the Monte Carlo step NWChem_CI #196: Commit 60e848e pushed by hjjvandam
December 30, 2024 11:56 2h 0m 46s noft1
noft1
December 30, 2024 11:56 2h 0m 46s
Adding Monte Carlo range routines. NWChem_CI #195: Commit bfdfb89 pushed by hjjvandam
December 29, 2024 22:17 2h 6m 59s noft1
noft1
December 29, 2024 22:17 2h 6m 59s
Interface to access local parts of GA like regular arrays NWChem_CI #194: Commit ad7a076 pushed by hjjvandam
December 29, 2024 20:39 1h 57m 44s noft1
noft1
December 29, 2024 20:39 1h 57m 44s
NWChem_CI NWChem_CI #193: Scheduled
December 29, 2024 00:28 1h 57m 29s master
master
December 29, 2024 00:28 1h 57m 29s
Adding more Monte Carlo pieces NWChem_CI #192: Commit fdf05b3 pushed by hjjvandam
December 26, 2024 23:28 1h 59m 32s noft1
noft1
December 26, 2024 23:28 1h 59m 32s
Adding loading Monte Carlo parameters NWChem_CI #191: Commit 48da8eb pushed by hjjvandam
December 26, 2024 20:39 1h 53m 21s noft1
noft1
December 26, 2024 20:39 1h 53m 21s
Additions for Monte Carlo solver NWChem_CI #190: Commit 1171b48 pushed by hjjvandam
December 26, 2024 12:32 2h 0m 26s noft1
noft1
December 26, 2024 12:32 2h 0m 26s
Results from the Monte Carlo optimizer. NWChem_CI #189: Commit 669751c pushed by hjjvandam
December 23, 2024 21:05 1h 59m 3s noft1
noft1
December 23, 2024 21:05 1h 59m 3s
Monte Carlo optimizer. NWChem_CI #188: Commit 83acc82 pushed by hjjvandam
December 22, 2024 22:54 1h 58m 28s noft1
noft1
December 22, 2024 22:54 1h 58m 28s
NWChem_CI NWChem_CI #187: Scheduled
December 22, 2024 00:28 1h 58m 23s master
master
December 22, 2024 00:28 1h 58m 23s
NWChem_CI NWChem_CI #186: Scheduled
December 15, 2024 00:30 2h 1m 48s master
master
December 15, 2024 00:30 2h 1m 48s
NWChem_CI NWChem_CI #185: Scheduled
December 8, 2024 00:30 2h 1m 45s master
master
December 8, 2024 00:30 2h 1m 45s
NWChem_CI NWChem_CI #184: Scheduled
December 1, 2024 00:33 2h 22m 11s master
master
December 1, 2024 00:33 2h 22m 11s
NWChem_CI NWChem_CI #183: Scheduled
November 24, 2024 00:28 2h 28m 0s master
master
November 24, 2024 00:28 2h 28m 0s
NWChem_CI NWChem_CI #182: Scheduled
November 17, 2024 00:28 2h 22m 58s master
master
November 17, 2024 00:28 2h 22m 58s
NWChem_CI NWChem_CI #181: Scheduled
November 10, 2024 00:27 2h 22m 48s master
master
November 10, 2024 00:27 2h 22m 48s
Adding overall wavefunction guess NWChem_CI #180: Commit 7f7ebc4 pushed by hjjvandam
November 4, 2024 20:46 2h 23m 54s noft1
noft1
November 4, 2024 20:46 2h 23m 54s
Adding molecular orbital guess NWChem_CI #179: Commit c5dc642 pushed by hjjvandam
November 3, 2024 20:36 2h 31m 10s noft1
noft1
November 3, 2024 20:36 2h 31m 10s
NWChem_CI NWChem_CI #178: Scheduled
November 3, 2024 00:28 2h 30m 46s master
master
November 3, 2024 00:28 2h 30m 46s
Adding tilde function guess NWChem_CI #177: Commit 84ff74a pushed by hjjvandam
November 1, 2024 22:34 2h 29m 43s noft1
noft1
November 1, 2024 22:34 2h 29m 43s