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Mergev2 merge data nequip refactoring into main DeePTB tests. #193: Pull request #61 opened by floatingCatty
February 2, 2024 07:14 11h 11m 9s floatingCatty:mergev2
floatingCatty:mergev2
February 2, 2024 07:14 11h 11m 9s
fix assert bug for kpoints weight summation (#60) Container #41: Commit 7873b47 pushed by QG-phy
February 2, 2024 05:49 11m 7s main
main
February 2, 2024 05:49 11m 7s
fix assert bug for kpoints weight summation DeePTB tests. #192: Pull request #60 opened by AsymmetryChou
February 2, 2024 02:34 1m 15s AsymmetryChou:ksum
AsymmetryChou:ksum
February 2, 2024 02:34 1m 15s
fix k-resolved transmission calculation bug and add kpoints sampling … Container #40: Commit e3327bc pushed by QG-phy
February 1, 2024 13:31 38s main
main
February 1, 2024 13:31 38s
fix k-resolved transmission calculation bug and add kpoints sampling function especially for NEGF DeePTB tests. #191: Pull request #59 synchronize by AsymmetryChou
February 1, 2024 12:56 1m 13s ksum
ksum
February 1, 2024 12:56 1m 13s
fix k-resolved transmission calculation bug and add kpoints sampling function especially for NEGF DeePTB tests. #190: Pull request #59 synchronize by AsymmetryChou
February 1, 2024 12:04 1m 19s ksum
ksum
February 1, 2024 12:04 1m 19s
Hartree2eV unit constant keep the same as dptb-negf (#58) Container #39: Commit 3d6c454 pushed by QG-phy
February 1, 2024 03:17 38s main
main
February 1, 2024 03:17 38s
Hartree2eV unit constant keep the same as dptb-negf DeePTB tests. #189: Pull request #58 synchronize by AsymmetryChou
January 31, 2024 06:58 1m 11s main
main
January 31, 2024 06:58 1m 11s
fix k-resolved transmission calculation bug and add kpoints sampling function especially for NEGF DeePTB tests. #188: Pull request #59 opened by AsymmetryChou
January 31, 2024 06:53 1m 19s ksum
ksum
January 31, 2024 06:53 1m 19s
Hartree2eV unit constant keep the same as dptb-negf DeePTB tests. #187: Pull request #58 opened by AsymmetryChou
January 25, 2024 08:43 1h 22m 58s main
main
January 25, 2024 08:43 1h 22m 58s
Create Cu_prim.vasp in the example Build Image #18: Commit 3b1bfa1 pushed by QG-phy
December 29, 2023 07:07 13m 34s v1.0.3
v1.0.3
December 29, 2023 07:07 13m 34s
Create Cu_prim.vasp in the example Container #38: Commit 3b1bfa1 pushed by QG-phy
December 29, 2023 03:09 44s main
main
December 29, 2023 03:09 44s
NRL update (#57) Container #37: Commit fed61a6 pushed by floatingCatty
December 29, 2023 02:02 34s main
main
December 29, 2023 02:02 34s
NRL update DeePTB tests. #186: Pull request #57 opened by QG-phy
December 27, 2023 13:58 4h 19m 42s QG-phy:nrl_update
QG-phy:nrl_update
December 27, 2023 13:58 4h 19m 42s
Example to get hr (#56) Container #36: Commit b7fe26d pushed by QG-phy
December 25, 2023 09:04 34s main
main
December 25, 2023 09:04 34s
Example to get hr DeePTB tests. #185: Pull request #56 opened by QG-phy
December 25, 2023 09:00 10h 35m 32s QG-phy:example_hr
QG-phy:example_hr
December 25, 2023 09:00 10h 35m 32s
add doc and example for TBtrans interface (#52) Container #35: Commit 2f20f04 pushed by QG-phy
December 25, 2023 07:59 56s main
main
December 25, 2023 07:59 56s
[fix] fix the validation in train nnsk and dptb, pick random 1 dat se… Container #34: Commit 6d55d31 pushed by QG-phy
December 22, 2023 09:31 20m 19s main
main
December 22, 2023 09:31 20m 19s
hotfix: fix the validation in train nnsk and dptb, DeePTB tests. #184: Pull request #54 opened by QG-phy
December 22, 2023 08:41 3h 56m 35s QG-phy:fix_valid
QG-phy:fix_valid
December 22, 2023 08:41 3h 56m 35s
Graph data structure update and inframe batchlization DeePTB tests. #183: Pull request #44 synchronize by floatingCatty
December 19, 2023 13:01 30s floatingCatty:data_nequip
floatingCatty:data_nequip
December 19, 2023 13:01 30s
Graph data structure update and inframe batchlization DeePTB tests. #182: Pull request #44 synchronize by floatingCatty
December 19, 2023 11:18 31s floatingCatty:data_nequip
floatingCatty:data_nequip
December 19, 2023 11:18 31s
add doc and example for TBtrans interface DeePTB tests. #181: Pull request #52 opened by AsymmetryChou
December 19, 2023 09:35 1m 19s tbtrans_doc
tbtrans_doc
December 19, 2023 09:35 1m 19s
Graph data structure update and inframe batchlization DeePTB tests. #180: Pull request #44 synchronize by floatingCatty
December 18, 2023 01:29 3h 19m 35s floatingCatty:data_nequip
floatingCatty:data_nequip
December 18, 2023 01:29 3h 19m 35s
add TBtrans Interface tbtrans_init.py and its test files (#50) Build Image #17: Commit 287663d pushed by QG-phy
December 15, 2023 06:46 11m 13s v1.0.2
v1.0.2
December 15, 2023 06:46 11m 13s
Graph data structure update and inframe batchlization DeePTB tests. #179: Pull request #44 synchronize by floatingCatty
December 12, 2023 14:49 37s floatingCatty:data_nequip
floatingCatty:data_nequip
December 12, 2023 14:49 37s
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