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42 Open 52 Closed
42 Open 52 Closed
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Issues list

Fails to build from source
#269 opened Feb 9, 2024 by vedranmiletic
5
Adding path integral Monte Carlo and path integral molecular dynamics
#268 opened Oct 26, 2021 by amartyabose
2
Add an Ouput writting the initial configuration A-User interface E-Easy
#248 opened Sep 4, 2018 by Luthaf
Use humantime crate in main A-User interface E-Easy
#242 opened May 14, 2018 by Luthaf
Warn on unused keys in the input A-Input
#239 opened Apr 4, 2018 by Luthaf
Free energy differences due to potential scaling A-System
#212 opened Oct 25, 2017 by g-bauer
6
Allow user to provide a stress matrix in the input file for anisotropic barostat A-Input
#185 opened Jun 8, 2017 by Luthaf
Add move_all_rigid_molecules_cost function to GlobalCache A-Monte-Carlo A-Performance
#184 opened Jun 8, 2017 by Luthaf
How do we introduce constraints? A-System
#142 opened Apr 5, 2017 by g-bauer
4
Specify molecules names in the input file A-Input
#137 opened Apr 4, 2017 by Luthaf
7
Mark types::Array indexing as unsafe A-Performance A-System
#136 opened Apr 4, 2017 by Luthaf
10
Using squared distances vs. squared cutoff in force and energy loops A-Performance A-System
#135 opened Apr 4, 2017 by g-bauer
Implement external potentials on a grid A-System
#124 opened Mar 23, 2017 by Luthaf
5
Feedback on the manual A-Documentation
#123 opened Mar 22, 2017 by antoinewdg
2
Emit warning when the input .toml file overwrites the cell configuration in a .pdb file A-Input E-Easy
#115 opened Mar 9, 2017 by antoinewdg
3
Thermodynamic ensembles in input files A-Input Discussion
#111 opened Mar 3, 2017 by Luthaf
6
Make center of mass computation of a molecule more robust? A-System
#95 opened Feb 3, 2017 by g-bauer
5
Benchmarking Lumol A-Performance A-Tests
#62 opened Nov 30, 2016 by Luthaf
4 of 22 tasks
24
Parrallelisation strategy A-Performance Discussion
#56 opened Nov 27, 2016 by Luthaf
Implement Linear force-shift for pair potential A-System A-Tests E-Easy
#55 opened Nov 26, 2016 by Luthaf
Add "smart MC" moves A-Monte-Carlo
#51 opened Oct 31, 2016 by g-bauer
4
Regularly run the benchmarks A-Performance
#49 opened Oct 26, 2016 by Luthaf
2
Plugin system Discussion
#45 opened Oct 20, 2016 by Luthaf
Add testing on Windows and OS X
#38 opened Oct 4, 2016 by Luthaf
1 of 2 tasks
Version 0.1
Add a molecule regrowth move for Monte Carlo A-Monte-Carlo
#35 opened Sep 8, 2016 by g-bauer
ProTip! Follow long discussions with comments:>50.