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Update writing of hdf5 data (#105) install-and-test-workflow #425: Commit 68f0d2b pushed by ladinesa
April 19, 2024 10:07 9m 3s develop
develop
April 19, 2024 10:07 9m 3s
Fix test install-and-test-workflow #424: Commit 45d4091 pushed by ladinesa
April 19, 2024 09:52 8m 59s update-hdf5
update-hdf5
April 19, 2024 09:52 8m 59s
Fix gh actions install-and-test-workflow #423: Commit 6640807 pushed by ladinesa
April 19, 2024 09:30 8m 59s update-hdf5
update-hdf5
April 19, 2024 09:30 8m 59s
Update writing of hdf5 data install-and-test-workflow #422: Commit 162b4da pushed by ladinesa
April 19, 2024 09:23 5m 0s update-hdf5
update-hdf5
April 19, 2024 09:23 5m 0s
Entries missing from input_parameters install-and-test-workflow #421: Commit 28240f6 pushed by Bernadette-Mohr
April 16, 2024 12:04 5m 40s 103-support-for-umbrella-sampling-calculations-in-nomad
103-support-for-umbrella-sampling-calculations-in-nomad
April 16, 2024 12:04 5m 40s
Merge pull request #101 from nomad-coe/100-errors-from-pyiron-lammps-log install-and-test-workflow #420: Commit c6fb75e pushed by Bernadette-Mohr
April 8, 2024 14:54 5m 6s 103-support-for-umbrella-sampling-calculations-in-nomad
103-support-for-umbrella-sampling-calculations-in-nomad
April 8, 2024 14:54 5m 6s
added vel init and tests to lammps install-and-test-workflow #419: Commit a958b59 pushed by JFRudzinski
March 28, 2024 12:12 8m 23s 100-cont-errors-from-pyiron-lammps-log
100-cont-errors-from-pyiron-lammps-log
March 28, 2024 12:12 8m 23s
Merge pull request #101 from nomad-coe/100-errors-from-pyiron-lammps-log install-and-test-workflow #418: Commit c6fb75e pushed by JFRudzinski
March 26, 2024 15:06 10m 0s develop
develop
March 26, 2024 15:06 10m 0s
removed if statement in str to op install-and-test-workflow #417: Commit 4b0f139 pushed by JFRudzinski
March 26, 2024 14:37 9m 26s 100-errors-from-pyiron-lammps-log
100-errors-from-pyiron-lammps-log
March 26, 2024 14:37 9m 26s
fixed regex to skip lines in log with variables install-and-test-workflow #416: Commit d430ca8 pushed by JFRudzinski
March 26, 2024 14:34 9m 56s 100-errors-from-pyiron-lammps-log
100-errors-from-pyiron-lammps-log
March 26, 2024 14:34 9m 56s
Fix nomad dependency (#99) install-and-test-workflow #415: Commit bf24430 pushed by JFRudzinski
March 26, 2024 13:33 9m 27s 100-errors-from-pyiron-lammps-log
100-errors-from-pyiron-lammps-log
March 26, 2024 13:33 9m 27s
Fix nomad dependency (#99) install-and-test-workflow #414: Commit bf24430 pushed by ladinesa
March 13, 2024 10:50 11m 24s develop
develop
March 13, 2024 10:50 11m 24s
Fix nomad dependency install-and-test-workflow #413: Commit 7893536 pushed by ladinesa
March 12, 2024 14:40 10m 10s package
package
March 12, 2024 14:40 10m 10s
Parser interface (#98) install-and-test-workflow #412: Commit 08cc88e pushed by ladinesa
March 11, 2024 17:34 7m 52s develop
develop
March 11, 2024 17:34 7m 52s
Linting fix install-and-test-workflow #411: Commit 1cb968c pushed by ladinesa
March 10, 2024 14:49 7m 47s parser-interface
parser-interface
March 10, 2024 14:49 7m 47s
Implement general parser class install-and-test-workflow #410: Commit b6c8405 pushed by ladinesa
March 10, 2024 14:28 4m 42s parser-interface
parser-interface
March 10, 2024 14:28 4m 42s
Merge pull request #97 from nomad-coe/96-error-with-h5md-upload install-and-test-workflow #409: Commit 4c72469 pushed by JFRudzinski
March 1, 2024 13:43 8m 15s develop
develop
March 1, 2024 13:43 8m 15s
added check for when an expected keyword is not populated install-and-test-workflow #408: Commit 2d308d0 pushed by JFRudzinski
March 1, 2024 13:02 7m 34s 96-error-with-h5md-upload
96-error-with-h5md-upload
March 1, 2024 13:02 7m 34s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #407: Commit 4741354 pushed by JFRudzinski
March 1, 2024 08:51 7m 28s 96-error-with-h5md-upload
96-error-with-h5md-upload
March 1, 2024 08:51 7m 28s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #406: Commit 4741354 pushed by JFRudzinski
February 29, 2024 13:25 7m 27s 95-refactoring-of-md-method-parameters-and-results-properties
95-refactoring-of-md-method-parameters-and-results-properties
February 29, 2024 13:25 7m 27s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #405: Commit 4741354 pushed by JFRudzinski
February 29, 2024 13:23 8m 23s develop
develop
February 29, 2024 13:23 8m 23s
kind to type install-and-test-workflow #404: Commit eaad4bb pushed by JFRudzinski
February 29, 2024 13:06 9m 5s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 29, 2024 13:06 9m 5s
fixed tests install-and-test-workflow #403: Commit 7cc3a55 pushed by JFRudzinski
February 28, 2024 08:05 4m 58s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 28, 2024 08:05 4m 58s
switched to booleans install-and-test-workflow #402: Commit 80867bb pushed by JFRudzinski
February 28, 2024 08:02 4m 30s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 28, 2024 08:02 4m 30s
added method check to tests install-and-test-workflow #401: Commit f236846 pushed by JFRudzinski
February 27, 2024 15:58 4m 52s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 15:58 4m 52s