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OpenDAS
torchani
Commits
ba02a6742cb56919b09f80e058e197b27a72a0af
Switch branch/tag
torchani
tools
generate-unit-test-expect
24 Apr, 2019
1 commit
Add Benzene and Tripeptide MD trajectory to unit test (#213)
· ba02a674
Gao, Xiang
authored
Apr 23, 2019
ba02a674
23 Mar, 2019
1 commit
Tools for COMP6 benchmark (#196)
· f149f6e1
Gao, Xiang
authored
Mar 23, 2019
f149f6e1
11 Jan, 2019
2 commits
Fix ASE interface when box size is 0 (#165)
· 391a672c
Gao, Xiang
authored
Jan 11, 2019
391a672c
Add xyz files to be used in future tests (#164)
· 74a81f21
Gao, Xiang
authored
Jan 11, 2019
74a81f21
12 Dec, 2018
1 commit
Test on structural optimization (#153)
· 7a3961ea
Gao, Xiang
authored
Dec 12, 2018
7a3961ea
