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Merge devel into master #720

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merged 11 commits into from
Apr 26, 2022
+3,378 −3,023
Merged

Merge devel into master #720

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9857833
Merge pull request #691 from amcadmus/devel
amcadmus Mar 30, 2022
9e3b958
Update param_CH4_deepmd-kit-2.0.1.json (#694)
LiangWenshuo1118 Apr 2, 2022
ddbcaa9
add bcc interstitial calculation and change some default parameters i…
kevinwenminion Apr 13, 2022
80ad9c1
batch replace 'except:' with 'except Exception:' (#703)
njzjz Apr 19, 2022
0b36b59
Fix the usage of `pair_coeff` in `auto_test` (#698)
AnguseZhang Apr 20, 2022
ff77dc6
Fix QE pwscf AssertionError (#685)
pee8379 Apr 20, 2022
37df129
Calypso (#663)
wangzyphysics Apr 20, 2022
25269cf
Add ABACUS/lcao deepks interface to dpgen init and run. (#705)
Liu-RX Apr 24, 2022
33baad0
doc: dpgen run machine parameters (#710)
njzjz Apr 24, 2022
c921fbd
Delete information printed by `dpgen -h` to enable `pip install dpgen…
AnguseZhang Apr 26, 2022
f454b5d
Merge branch 'devel'
Apr 26, 2022
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Fix the usage of pair_coeff in auto_test (#698)
@AnguseZhang
AnguseZhang authored Apr 20, 2022
commit 0b36b59ababc81946c09837a302c5ef0ebb93544

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