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2b827c50

Commit 2b827c50 authored 7 years ago by Lauri Himanen

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Added initial functionality for opening cube files.

parent 39930754

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parser/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py 20 additions, 0 deletions

...r/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py
regtests/cp2k_2.6.2/cube/single_point_default_name/Si_bulk8-ELECTRON_DENSITY-1_0.cube 1614 additions, 0 deletions

...gle_point_default_name/Si_bulk8-ELECTRON_DENSITY-1_0.cube
regtests/cp2k_2.6.2/cube/single_point_default_name/Si_bulk8-RESTART.wfn 0 additions, 0 deletions

...2.6.2/cube/single_point_default_name/Si_bulk8-RESTART.wfn
regtests/cp2k_2.6.2/cube/single_point_default_name/si_bulk8.inp 70 additions, 0 deletions

...ts/cp2k_2.6.2/cube/single_point_default_name/si_bulk8.inp
regtests/cp2k_2.6.2/cube/single_point_default_name/unittest.out 798 additions, 0 deletions

...ts/cp2k_2.6.2/cube/single_point_default_name/unittest.out
regtests/regtests.py 30 additions, 22 deletions

regtests/regtests.py

with 2532 additions and 22 deletions

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