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Fix/improper section Draft on Open #16: Pull request #503 opened by ehhartmann
November 6, 2024 15:02 11s fix/improper_section
fix/improper_section
November 6, 2024 15:02 11s
fix: slow growth Draft on Open #15: Pull request #502 opened by jmbuhr
November 5, 2024 16:55 2s fix/times
fix/times
November 5, 2024 16:55 2s
various small fixes and flags Draft on Open #14: Pull request #500 opened by jmbuhr
November 5, 2024 09:58 2s cleanup
cleanup
November 5, 2024 09:58 2s
fix #495 Draft on Open #13: Pull request #496 opened by jmbuhr
October 15, 2024 09:19 2s plotfix
plotfix
October 15, 2024 09:19 2s
feat: multi rfkmc Draft on Open #12: Pull request #494 opened by KRiedmiller
September 26, 2024 09:28 13s multi_kmc
multi_kmc
September 26, 2024 09:28 13s
feat: norelax option to skip relax recipe steps Draft on Open #11: Pull request #492 opened by jmbuhr
September 19, 2024 12:06 3s dry-run
dry-run
September 19, 2024 12:06 3s
Files non check Draft on Open #10: Pull request #491 opened by jmbuhr
September 19, 2024 07:57 3s files-non-check
files-non-check
September 19, 2024 07:57 3s
fix: search for radicals when initializing a MoleculeType Draft on Open #9: Pull request #490 opened by KRiedmiller
September 16, 2024 13:20 12s init_radical_search
init_radical_search
September 16, 2024 13:20 12s
Clean log solvent Draft on Open #8: Pull request #489 opened by KRiedmiller
September 16, 2024 12:29 13s clean_log_solvent
clean_log_solvent
September 16, 2024 12:29 13s
fix: link residuetypedat Draft on Open #7: Pull request #488 opened by KRiedmiller
September 13, 2024 07:25 12s residuetypesdat
residuetypesdat
September 13, 2024 07:25 12s
fix: use correct distances.dat when starting from existing traj Draft on Open #6: Pull request #485 opened by jmbuhr
September 11, 2024 13:50 14s plumed-fixes
plumed-fixes
September 11, 2024 13:50 14s
fix: truncate time in plumed output to 1 fs Draft on Open #5: Pull request #484 opened by jmbuhr
September 11, 2024 13:09 13s examples
examples
September 11, 2024 13:09 13s
Create_plumed_input Draft on Open #4: Pull request #483 opened by KRiedmiller
September 11, 2024 12:40 13s create_plumed_input
create_plumed_input
September 11, 2024 12:40 13s
feat: recipes with deferred RecipeSteps Draft on Open #3: Pull request #476 opened by jmbuhr
August 28, 2024 10:36 14s callable-recipes
callable-recipes
August 28, 2024 10:36 14s
Update README.md Draft on Open #2: Pull request #475 opened by jmbuhr
August 26, 2024 08:29 13s jmbuhr-patch-1
jmbuhr-patch-1
August 26, 2024 08:29 13s
fix(ci): always mark draft PRs as not green Draft on Open #1: Pull request #473 opened by jmbuhr
August 21, 2024 09:35 14s test-ci
test-ci
August 21, 2024 09:35 14s