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update ci workflow
CI #338: Commit 6dfc639 pushed by fishjojo
March 5, 2024 06:27 37m 56s dev
dev
March 5, 2024 06:27 37m 56s
Merge remote-tracking branch 'origin/main' into dev
CI #337: Commit 05f0a3c pushed by fishjojo
March 5, 2024 06:06 52s dev
dev
March 5, 2024 06:06 52s
update for release
CI #336: Commit 31f5ec2 pushed by fishjojo
March 5, 2024 05:46 55s dev
dev
March 5, 2024 05:46 55s
update test
CI #335: Commit 29084da pushed by fishjojo
March 4, 2024 03:01 40m 24s dev
dev
March 4, 2024 03:01 40m 24s
fix lo
CI #334: Commit 4ceb3fe pushed by fishjojo
March 4, 2024 02:07 15m 42s dev
dev
March 4, 2024 02:07 15m 42s
fix chkfile
CI #333: Commit 0f1a6c8 pushed by fishjojo
March 3, 2024 11:28 14m 54s dev
dev
March 3, 2024 11:28 14m 54s
add missing files
CI #332: Commit 2831bed pushed by fishjojo
March 3, 2024 10:16 7m 37s dev
dev
March 3, 2024 10:16 7m 37s
update test
CI #331: Commit 3ba50f6 pushed by fishjojo
March 3, 2024 10:11 3m 14s dev
dev
March 3, 2024 10:11 3m 14s
prepare for release
CI #330: Commit 36a800a pushed by fishjojo
March 3, 2024 06:38 4m 7s dev
dev
March 3, 2024 06:38 4m 7s
Merge remote-tracking branch 'origin/dev' into dev
CI #329: Commit 5b1659c pushed by fishjojo
January 30, 2024 06:15 16m 2s dev
dev
January 30, 2024 06:15 16m 2s
fix hf int2e symmetry
CI #328: Commit e441a83 pushed by fishjojo
January 24, 2024 23:33 16m 5s dev
dev
January 24, 2024 23:33 16m 5s
refactor moleintor
CI #327: Commit 0330b0b pushed by fishjojo
January 24, 2024 22:02 11m 39s dev
dev
January 24, 2024 22:02 11m 39s
fix eval_gto grad in DFT
CI #326: Commit bbf8209 pushed by fishjojo
January 11, 2024 01:06 16m 23s dev
dev
January 11, 2024 01:06 16m 23s
fix exp ctr_coeff deriv
CI #325: Commit 9c0c022 pushed by fishjojo
January 10, 2024 09:11 16m 13s dev
dev
January 10, 2024 09:11 16m 13s
fix exp ctr_coeff gradient
CI #324: Commit b2dcfcb pushed by fishjojo
January 10, 2024 00:28 16m 21s dev
dev
January 10, 2024 00:28 16m 21s
add eval_gto exponent gradient
CI #323: Commit 0d420a7 pushed by fishjojo
January 8, 2024 00:14 16m 37s dev
dev
January 8, 2024 00:14 16m 37s
add eval_gto ctr_coeff gradient
CI #322: Commit 5e7d27d pushed by fishjojo
January 7, 2024 02:20 16m 9s dev
dev
January 7, 2024 02:20 16m 9s
fix lint error
CI #321: Commit ab2034f pushed by fishjojo
January 5, 2024 23:26 15m 41s dev
dev
January 5, 2024 23:26 15m 41s
improve eval_gto performance
CI #320: Commit 45f5197 pushed by fishjojo
January 5, 2024 22:59 4m 20s dev
dev
January 5, 2024 22:59 4m 20s
fix basis exp and ctr_coeff derivative
CI #319: Commit 553030b pushed by fishjojo
January 4, 2024 10:03 15m 1s dev
dev
January 4, 2024 10:03 15m 1s
update lo, add geomopt
CI #318: Commit 72eaa2b pushed by fishjojo
November 19, 2023 00:28 15m 26s dev
dev
November 19, 2023 00:28 15m 26s
update torch backend
CI #317: Commit d9793a4 pushed by fishjojo
October 20, 2023 02:04 7m 13s ml
ml
October 20, 2023 02:04 7m 13s
update setup
CI #316: Commit 7da668f pushed by fishjojo
October 20, 2023 01:50 6m 41s ml
ml
October 20, 2023 01:50 6m 41s
minor
CI #315: Commit 09f501d pushed by fishjojo
October 19, 2023 20:46 6m 10s ml
ml
October 19, 2023 20:46 6m 10s
minor
CI #314: Commit b1ee966 pushed by fishjojo
October 19, 2023 20:36 8m 20s ml
ml
October 19, 2023 20:36 8m 20s