- 13 Jul, 2018 1 commit
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Markus Scheidgen authored
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- 05 Mar, 2018 1 commit
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Lauri Himanen authored
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- 31 Oct, 2017 1 commit
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Lauri Himanen authored
Fixed issue with restarted calculations, fixed bugs in reading MD files with non-unity print frequencies.
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- 18 Oct, 2017 1 commit
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Lauri Himanen authored
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- 16 Oct, 2017 1 commit
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Lauri Himanen authored
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- 29 Jun, 2017 1 commit
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Lauri Himanen authored
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- 14 Jul, 2016 1 commit
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Lauri Himanen authored
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- 05 Jul, 2016 1 commit
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Lauri Himanen authored
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- 21 Jun, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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- 20 Jun, 2016 1 commit
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Lauri Himanen authored
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- 01 Jun, 2016 2 commits
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Lauri Himanen authored
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Lauri Himanen authored
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- 02 May, 2016 1 commit
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Lauri Himanen authored
Broke the parsing of different CP2K run types into separate modules. The common functionality is now found in 'commonmatcher.py'. I think that this will make the code maintenance much easier than having everything in one huge file.
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- 28 Apr, 2016 1 commit
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Lauri Himanen authored
Added parsing for external force file, added detection of CP2K run mode and optimization based on it, started working on GEO_OPT parsing.
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- 27 Apr, 2016 1 commit
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Lauri Himanen authored
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- 25 Apr, 2016 1 commit
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Lauri Himanen authored
Added parsing of input file if found, added support for more functionals, corrected the formatting of functionals, restructured the package a bit.
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