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Tags: robinzyb/cp2kdata

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v0.7.0

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Merge pull request #58 from robinzyb/devel

bump version to 0.7.0

v0.6.9

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Merge pull request #47 from robinzyb/devel

update missing package pycp2k

v0.6.8

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Merge pull request #45 from robinzyb/devel

Update testcase names using ids

v0.6.7

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Merge pull request #44 from robinzyb/devel

enhance for parsing restart md files

v0.6.6

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Merge pull request #42 from robinzyb/devel

update version number

v0.6.5

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Merge pull request #40 from robinzyb/devel

temporarily disable the parser for `-1.stress`

v0.6.4

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Bug Fixes: virial should be stress multiplied by volume.

Bug Fixes: virial should be stress multiplied by volume.

v0.6.3

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Merge pull request #30 from robinzyb/devel

update doc for dpdata and modify version

v0.6.2

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New Cp2kCube and Cp2kCell

Devel

v0.6.1

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Support cp2k cell parsing in npt log file

Support cp2k cell parsing in npt log file