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Pull requests: Colvars/colvars

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Pull requests list

Add references to new Colvars paper
#749 opened Nov 15, 2024 by jhenin Loading…
Support full initialization of volumetric maps within Colvars NAMD VMD
#737 opened Oct 23, 2024 by giacomofiorin Loading…
2
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 • Draft
2
Prepare for the change of the NAMD reduction interface NAMD
#732 opened Oct 17, 2024 by HanatoK • Draft
1
[RFC] Work towards reusable CVCs
#700 opened Jun 29, 2024 by HanatoK • Draft
1 task done
22
Create abf::setup_output() for consistency
#687 opened Apr 12, 2024 by jhenin • Draft
1
Lambda-ABF implementation for the NAMD interface
#649 opened Jan 19, 2024 by jhenin Loading…
2 tasks done
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 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! Updated in the last three days: updated:>2024-11-12.