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Pull requests: Colvars/colvars

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Pull requests list

[RFC] Example use of NAMD CudaGlobalMaster interface
#783 opened Mar 20, 2025 by HanatoK • Draft
4
[RFC] Add an option to parallelize the inner loops instead of CVCs
#780 opened Mar 11, 2025 by HanatoK
34
Fix the NAMD unified reduction
#775 opened Mar 6, 2025 by HanatoK • Draft
1
New tool poisson_integrator_conv
#752 opened Nov 29, 2024 by jhenin
1
Support full initialization of volumetric maps within Colvars NAMD VMD
#737 opened Oct 23, 2024 by giacomofiorin • Draft
@giacomofiorin
4
Bias-exchange metadynamics implementation NAMD script_API Control Colvars from scripts
#734 opened Oct 18, 2024 by giacomofiorin • Draft
WIP: Custom grids for all biases
#733 opened Oct 18, 2024 by giacomofiorin
@giacomofiorin
8
[RFC] Work towards reusable CVCs
#700 opened Jun 29, 2024 by HanatoK • Draft
1 task done
39
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin • Draft
1
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
4
Enable CTest on Windows builds
#533 opened May 3, 2023 by giacomofiorin • Draft
Implement reflecting boundary conditions for metadynamics bias
#525 opened Apr 17, 2023 by fabsugar • Draft
5
ProTip! Exclude everything labeled bug with -label:bug.