andersle / infretis / 7115263797

Builds Branch Commit Type Ran Committer Via Coverage
7115263797 main Add type hints for system.py (#56) * Added type hints for system.py push web-flow github
52.58
7098214679 main Add type hints for path.py (#55) * Added type hints for path.py. * Updated docstrings in path.py. push web-flow github
52.59
7089331206 main update dask version (#54) Co-authored-by: dz24 <daniel.t.zhang@ntnu.no> push web-flow github
52.53
7084373639 main Formatter type hint (#53) * Added type hints for formatter.py push web-flow github
52.52
7084298840 main Add type hints for engines (#37) * Added type hints for enginebase. * Added missing from __future__ * Removed empty line. * Removed rgen and used self.draw_maxwellian_vel for cp2k * Added type hints for engineparts.py * Partial upd... push web-flow github
52.43
7043047496 main remove high acc varable, s.t. if wf selected we automatically do high acceptance (#50) Co-authored-by: dz24 <daniel.t.zhang@ntnu.no> push web-flow github
52.2
6969525677 main Lammps engine (#48) Did the following Add lammps engine Add two examples H2 and puckering for lammps engine Add a script to generate loadpaths for lammps engine Remove redundant step method from enginebase and all engines Fix puckering ord... push web-flow github
52.17
6389061631 main Update gromacs engine (#39) * Remove .gro format support, fixes #31 * Add hydrogen dissociation example for gromacs * Update README.md * Add ring puckering order parameter --------- Co-authored-by: dz24 <danielzh@stud.ntnu.no> push web-flow github-actions
54.62
6157771269 main Add type hints and tests for orderparameters (#36) push GitHub github-actions
54.11
6132328467 main Add type hints for infretis.core.core (#35) * Added type hints for methods in infretis.core.core * Removed unused code. push web-flow github-actions
51.62
6110021438 main Remove sswt, clean and remove some code (#32) push GitHub github-actions
51.56
6046472055 main Add some simple tests (#29) * Added tests for infretis/core/core.py (excluding the create_external method). push web-flow github-actions
27.95
6002688323 main Pass mypy pipeline (#28) push GitHub github-actions
26.78
5997756271 main Ruff fix push Lukas Baldauf github-actions
28.2
5974648822 main Turtlemd engine (#27) * Add turtlemd engine * Fix PBC handling in Distance orderparam * Add lennard_jones example for turtlemd * Add path generation tool * Add position order parameter * Delete examples/turtlemd/default-len directo... push web-flow github-actions
28.2