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heat of adsorption for single and multiple components
Python application test #61: Pull request #49 opened by Zhaoli2042
August 29, 2024 05:59 17s Zhaoli2042:main
August 29, 2024 05:59 17s
PR: small bug fix for total Ewald Fourier energy
Python application test #60: Commit c90be10 pushed by Zhaoli2042
August 28, 2024 05:39 14s main
August 28, 2024 05:39 14s
small bug fix for total Ewald Fourier energy
Python application test #59: Pull request #48 opened by Zhaoli2042
August 28, 2024 05:39 17s Zhaoli2042:main
August 28, 2024 05:39 17s
PR: ML Potential Allegro fix
Python application test #58: Commit 11548d0 pushed by Zhaoli2042
August 21, 2024 20:22 16s main
August 21, 2024 20:22 16s
ML Potential Allegro fix
Python application test #57: Pull request #47 opened by Zhaoli2042
August 21, 2024 20:21 27s Zhaoli2042:main
August 21, 2024 20:21 27s
Merge pull request #46 from KaihangShi/develop
Python application test #56: Commit 0c5b63a pushed by Zhaoli2042
August 21, 2024 01:58 18s main
August 21, 2024 01:58 18s
Add an example for Henry's coefficient
Python application test #55: Pull request #46 opened by KaihangShi
August 21, 2024 01:47 18s KaihangShi:develop
August 21, 2024 01:47 18s
Add Henry's constant calculation
Python application test #54: Pull request #45 opened by KaihangShi
August 21, 2024 00:11 18s KaihangShi:main
August 21, 2024 00:11 18s
Merge pull request #44 from Zhaoli2042/main
Python application test #53: Commit debd7e4 pushed by Zhaoli2042
August 17, 2024 04:24 16s main
August 17, 2024 04:24 16s
ADD BADGES
Python application test #52: Pull request #44 opened by Zhaoli2042
August 17, 2024 04:24 15s Zhaoli2042:main
August 17, 2024 04:24 15s
Remove slack
Python application test #51: Commit fa68a94 pushed by Zhaoli2042
August 16, 2024 05:55 15s main
August 16, 2024 05:55 15s
Merge pull request #43 from Zhaoli2042/main
Python application test #50: Commit 02a39e4 pushed by Zhaoli2042
August 16, 2024 05:54 15s main
August 16, 2024 05:54 15s
add slack join
Python application test #49: Pull request #43 opened by Zhaoli2042
August 16, 2024 05:54 19s Zhaoli2042:main
August 16, 2024 05:54 19s
Merge pull request #42 from Xiaoyi-ZHANG23/main
Python application test #48: Commit 3fb0968 pushed by Xiaoyi-ZHANG23
August 14, 2024 17:00 25s main
August 14, 2024 17:00 25s
comment added
Python application test #47: Pull request #42 opened by Xiaoyi-ZHANG23
August 14, 2024 17:00 21s Xiaoyi-ZHANG23:main
August 14, 2024 17:00 21s
Merge pull request #41 from KaihangShi/develop
Python application test #46: Commit 9654a05 pushed by Zhaoli2042
August 13, 2024 04:45 22s main
August 13, 2024 04:45 22s
Add ML potential details
Python application test #45: Pull request #41 opened by KaihangShi
August 13, 2024 04:31 19s KaihangShi:develop
August 13, 2024 04:31 19s
Merge pull request #40 from Zhaoli2042/main
Python application test #44: Commit 1bd9756 pushed by Zhaoli2042
August 13, 2024 03:50 14s v-081224
August 13, 2024 03:50 14s
Merge pull request #40 from Zhaoli2042/main
Python application test #43: Commit 1bd9756 pushed by Zhaoli2042
August 4, 2024 05:43 20s main
August 4, 2024 05:43 20s
Better GPU total energy and print GPU energy drift
Python application test #42: Pull request #40 opened by Zhaoli2042
August 4, 2024 05:43 14s Zhaoli2042:main
August 4, 2024 05:43 14s
Merge pull request #39 from Zhaoli2042/main
Python application test #41: Commit e4d94db pushed by Zhaoli2042
August 2, 2024 00:27 17s main
August 2, 2024 00:27 17s
Delete Input directory (everything is in Examples/)
Python application test #40: Pull request #39 opened by Zhaoli2042
August 2, 2024 00:27 23s Zhaoli2042:main
August 2, 2024 00:27 23s
Merge pull request #38 from Zhaoli2042/main
Python application test #39: Commit 5eaa65c pushed by Zhaoli2042
July 29, 2024 23:08 15s main
July 29, 2024 23:08 15s
table for NIST reference energy SPC/E comparison
Python application test #38: Pull request #38 opened by Zhaoli2042
July 29, 2024 23:08 23s Zhaoli2042:main
July 29, 2024 23:08 23s
small fix to not print deltaE at cycle 4
Python application test #37: Commit bb95f38 pushed by Zhaoli2042
July 29, 2024 21:35 16s main
July 29, 2024 21:35 16s