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Fix charge and energy derivatives for EEQBC CI #22: Commit 181e102 pushed by thfroitzheim
January 2, 2025 13:43 4m 35s eeq-bc
eeq-bc
January 2, 2025 13:43 4m 35s
Merge pull request #2 from lmseidler/eeq-bc CI #21: Commit fa90810 pushed by thfroitzheim
December 20, 2024 15:12 2m 4s eeq-bc
eeq-bc
December 20, 2024 15:12 2m 4s
Updates to code structure CI #19: Pull request #2 synchronize by lmseidler
December 20, 2024 15:06 2m 4s lmseidler:eeq-bc
lmseidler:eeq-bc
December 20, 2024 15:06 2m 4s
Updates to code structure CI #18: Pull request #2 synchronize by lmseidler
December 20, 2024 14:44 1m 57s lmseidler:eeq-bc
lmseidler:eeq-bc
December 20, 2024 14:44 1m 57s
Merge branch 'main' into eeq-bc CI #14: Commit 9c25353 pushed by thfroitzheim
December 18, 2024 22:00 2m 4s eeq-bc
eeq-bc
December 18, 2024 22:00 2m 4s
Add dedr tests for charged systems and fix the electrostatic energy (… CI #13: Commit 995a6d1 pushed by thfroitzheim
December 18, 2024 20:06 4m 1s main
main
December 18, 2024 20:06 4m 1s
Update parameter 15.12.24 CI #10: Commit 6a25fdb pushed by thfroitzheim
December 16, 2024 12:03 2m 55s eeq-bc
eeq-bc
December 16, 2024 12:03 2m 55s
Restructure vrhs derivative with gemm CI #9: Commit 1770c59 pushed by thfroitzheim
December 16, 2024 10:22 3m 55s eeq-bc
eeq-bc
December 16, 2024 10:22 3m 55s
Merge pull request #1 from marcelmbn/params/20241213_1455 CI #8: Commit fe3daa6 pushed by thfroitzheim
December 13, 2024 14:17 2m 59s eeq-bc
eeq-bc
December 13, 2024 14:17 2m 59s
Fix dielectric input CI #6: Commit 39d0379 pushed by thfroitzheim
November 28, 2024 13:21 2m 10s eeq-bc
eeq-bc
November 28, 2024 13:21 2m 10s
Merge branch 'grimme-lab:main' into eeq-bc CI #5: Commit e727eef pushed by thfroitzheim
November 27, 2024 21:42 2m 44s eeq-bc
eeq-bc
November 27, 2024 21:42 2m 44s
Update cmake dependencies (#38) CI #4: Commit 2a3d675 pushed by thfroitzheim
November 27, 2024 21:42 11m 2s main
main
November 27, 2024 21:42 11m 2s
EEQ-BC implementation for charges, energies, A matrix and b vector de… CI #3: Commit c0b3aaa pushed by thfroitzheim
November 27, 2024 21:41 6m 7s eeq-bc
eeq-bc
November 27, 2024 21:41 6m 7s
Update cmake dependencies CI #2: Commit ac23300 pushed by thfroitzheim
November 8, 2024 16:13 3m 12s cmake-dep
cmake-dep
November 8, 2024 16:13 3m 12s
Pin mctc-lib to 0.3.2 (#37) CI #1: Commit af762a6 pushed by thfroitzheim
November 8, 2024 16:12 3m 57s cmake-dep
cmake-dep
November 8, 2024 16:12 3m 57s