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Pull requests: Colvars/colvars

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Pull requests list

[RFC] More band-aid fixes to Colvars
#700 opened Jun 29, 2024 by HanatoK Loading…
1 task done
14
Fix harmless memory error in standalone tool
#697 opened Jun 28, 2024 by jhenin Loading…
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin • Draft
Protein-specific coordinates based on index groups
#666 opened Feb 27, 2024 by jhenin • Draft
2 of 4 tasks
2
Lambda-ABF implementation for the NAMD interface
#649 opened Jan 19, 2024 by jhenin • Draft
1 task
7
Allow reusing computation and data between CVC objects optimization
#644 opened Dec 19, 2023 by giacomofiorin • Draft
1 of 3 tasks
15
Gmx no cv config test GROMACS testing Only affects CI; not listed in outside PRs
#627 opened Nov 24, 2023 by jhenin • Draft
enable use of CVs defined by PyTorch neural network models
#570 opened Aug 28, 2023 by zwpku • Draft
44
Better handling of faulty configs in Dashboard VMD
#566 opened Aug 14, 2023 by EzryStIago • Draft
1
Enable CTest on Windows builds
#533 opened May 3, 2023 by giacomofiorin • Draft
Meta reflection
#525 opened Apr 17, 2023 by fabsugar • Draft
5
ProTip! Exclude everything labeled bug with -label:bug.