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tongzhugroup / mddatasetbuilder Public

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Releases: tongzhugroup/mddatasetbuilder

Releases · tongzhugroup/mddatasetbuilder

v1.2.14

23 Sep 00:11

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v1.2.14

v1.2.14 (2019-09-23)

🐛 Bug Fixes

support all elements' spin multiplicities (njzjz@82f120c) by Jinzhe Zeng

v1.2.13...v1.2.14

Assets 2

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v1.2.13

23 Sep 00:04

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v1.2.13

v1.2.13 (2019-09-23)

🐛 Bug Fixes

detect ring bug (njzjz@fcba589) by Jinzhe Zeng

v1.2.12...v1.2.13

Assets 2

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v1.2.12

12 Sep 17:28

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v1.2.12

v1.2.12 (2019-09-12)

🐛 Bug Fixes

set bond order of am (njzjz@0b19048) by Jinzhe Zeng

v1.2.11...v1.2.12

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v1.2.11

23 Jul 12:03

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v1.2.11

v1.2.11 (2019-07-23)

🐛 Bug Fixes

bugfix (njzjz@2f50fb7) by Jinzhe Zeng

v1.2.10...v1.2.11

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v1.2.10

22 Jul 08:45

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v1.2.10

v1.2.10 (2019-07-22)

🐛 Bug Fixes

bug && typo (njzjz@aff4815) by Jinzhe Zeng

v1.2.9...v1.2.10

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v1.2.9

20 Jul 13:30

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v1.2.9

v1.2.9 (2019-07-20)

🐛 Bug Fixes

dump atom_pref (njzjz@26f7428) by Jinzhe Zeng

v1.2.8...v1.2.9

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v1.2.8

19 Jul 12:10

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v1.2.8

v1.2.8 (2019-07-19)

🐛 Bug Fixes

work with new deepmd-kit (njzjz@9677d68) by Jinzhe Zeng
ase 3.18.0 breaks the behavior (#70) (njzjz@ec455f6) by Jinzhe Zeng

v1.2.7...v1.2.8

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v1.2.7

19 Jul 10:51

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v1.2.7

v1.2.7 (2019-07-19)

🐛 Bug Fixes

ase 3.18.0 breaks the behavior (njzjz@15a427f) by Jinzhe Zeng

v1.2.6...v1.2.7

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v1.2.6

11 Jul 12:20

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v1.2.6

v1.2.6 (2019-07-11)

🐛 Bug Fixes

rewrite _clusterdatas (njzjz@4b934b8) by Jinzhe Zeng

v1.2.5...v1.2.6

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v1.2.5

07 Jul 13:55

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v1.2.5

v1.2.5 (2019-07-07)

🐛 Bug Fixes

rewrite gaussian files (njzjz@fa0155b) by Jinzhe Zeng

v1.2.4...v1.2.5

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