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Insights: Colvars/colvars
September 10, 2024 – September 17, 2024
Overview
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2 Pull requests merged by 2 people
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Add missing rotation in orientation component
#715 merged
Sep 17, 2024 -
Import fixes and changes from GROMACS repo
#718 merged
Sep 17, 2024
1 Pull request opened by 1 person
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[RFC] fix: try to solve #87 for non-scala components
#713 opened
Sep 12, 2024
3 Issues closed by 1 person
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Compilation error in GROMACS main test code
#716 closed
Sep 17, 2024 -
ABF vs WTMetaD PMF
#707 closed
Sep 16, 2024 -
Colvars Errors to restart
#711 closed
Sep 12, 2024
1 Issue opened by 1 person
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distance_dir::apply_force seems incorrect
#714 opened
Sep 13, 2024
6 Unresolved conversations
Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.
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enable use of CVs defined by PyTorch neural network models
#570 commented on
Sep 16, 2024 • 0 new comments -
Protein-specific coordinates based on index groups
#666 commented on
Sep 13, 2024 • 0 new comments -
[RFC] More band-aid fixes to Colvars
#700 commented on
Sep 16, 2024 • 0 new comments -
BUGFIX for Segmentation fault in colvarbias_meta::calc_energy() with useGrids off
#706 commented on
Sep 16, 2024 • 0 new comments -
Implementation of OPES in Colvars
#709 commented on
Sep 17, 2024 • 0 new comments -
Ability to define custom grid in ABF biases
#710 commented on
Sep 17, 2024 • 0 new comments