Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

P

parser-cp2k
- Activity
- Members
- Releases
- Model registry

Snippets Groups Projects

Admin message

Beginning with 2nd June, only the "Single Sign On" option for login to the GitLab web interface will be possible. If you don't have an MPCDF wide second factor so far, please get one at our SelfService (https://selfservice.mpcdf.mpg.de). The GitLab internal second factor will not work.

This is an archived project. Repository and other project resources are read-only.

73829dd2

"git@gitlab.mpcdf.mpg.de:nomad-lab/nomad-FAIR.git" did not exist on "2d5a84b183f0f087c565093fa71fc5a81302ef75"

Commit 73829dd2 authored 9 years ago by Himanen, Lauri (himanel1)

Downloads
- Patches
- Plain Diff

Added the parsing of numeric stress tensor.

parent 9fe74529

No related branches found

No related tags found

No related merge requests found

Changes 6

Expand all Hide whitespace changes

Inline Side-by-side

Showing

.gitignore 3 additions, 0 deletions

.gitignore
parser/parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py 24 additions, 24 deletions

.../parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py 36 additions, 116 deletions

...ser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py
test/unittests/cp2k_2.6.2/energy_force/si_bulk8.inp 1 addition, 0 deletions

test/unittests/cp2k_2.6.2/energy_force/si_bulk8.inp
test/unittests/cp2k_2.6.2/energy_force/unittest.out 6749 additions, 57 deletions

test/unittests/cp2k_2.6.2/energy_force/unittest.out
test/unittests/cp2k_2.6.2/run_tests.py 20 additions, 8 deletions

test/unittests/cp2k_2.6.2/run_tests.py

with 6833 additions and 205 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment