Tags: robinzyb/cp2kdata
Toggle v0.7.0's commit message
Merge pull request #58 from robinzyb/devel
bump version to 0.7.0
Toggle v0.6.9's commit message
Merge pull request #47 from robinzyb/devel
update missing package pycp2k
Toggle v0.6.8's commit message
Merge pull request #45 from robinzyb/devel
Update testcase names using ids
Toggle v0.6.7's commit message
Merge pull request #44 from robinzyb/devel
enhance for parsing restart md files
Toggle v0.6.6's commit message
Merge pull request #42 from robinzyb/devel
update version number
Toggle v0.6.5's commit message
Merge pull request #40 from robinzyb/devel
temporarily disable the parser for `-1.stress`
Toggle v0.6.4's commit message
Bug Fixes: virial should be stress multiplied by volume.
Bug Fixes: virial should be stress multiplied by volume.
Toggle v0.6.3's commit message
Merge pull request #30 from robinzyb/devel
update doc for dpdata and modify version
Toggle v0.6.2's commit message
New Cp2kCube and Cp2kCell
Devel
Toggle v0.6.1's commit message
Support cp2k cell parsing in npt log file
Support cp2k cell parsing in npt log file
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