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26 Open 336 Closed
26 Open 336 Closed
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Issues list

Documentation: update the descriptions of moving frame of reference and enableFitGradients
#748 opened Nov 7, 2024 by HanatoK
Separate computation and update steps into two distinct functions of the module's external API
#747 opened Oct 31, 2024 by giacomofiorin
Use MD engine's default frequency to empty the Colvars traj buffer question
#744 opened Oct 27, 2024 by giacomofiorin
2
Resolve conflicts in extended ebMeta code
#739 opened Oct 24, 2024 by giacomofiorin
@fabsugar
Documentation: specify whether total projected forces are available documentation Only affects manual and other docs important
#723 opened Oct 10, 2024 by jhenin
@jhenin
Feature request: reusable bias
#712 opened Sep 9, 2024 by HanatoK
@giacomofiorin
1
Allowing the script API to return atom IDs even in scalable computations
#703 opened Jul 10, 2024 by giacomofiorin
@giacomofiorin
Intel compiler 2019 fails to calculate the eigenvectors correctly
#695 opened Jun 4, 2024 by HanatoK
5
cv save changes prefix for future output
#683 opened Apr 9, 2024 by jhenin
@jhenin
8
dA/dLambda outputs: trajectory file and dispersion important
#678 opened Mar 21, 2024 by EzryStIago
@jhenin
2
Better error message when trying to load coordinates from missing files
#667 opened Mar 5, 2024 by giacomofiorin
1
@jhenin
3
CTest coverage reporting
#613 opened Oct 24, 2023 by jhenin
1
More flexible control of PBC error handling
#612 opened Oct 24, 2023 by giacomofiorin
Support external path for Colvars when building GROMACS GROMACS
#611 opened Oct 23, 2023 by giacomofiorin
Cache group definitions that come from PDB files
#599 opened Oct 3, 2023 by giacomofiorin
Consolidate backend test runners
#597 opened Sep 29, 2023 by giacomofiorin
RFC: Further optimize the optimal rotation code path non-urgent Long-term improvement optimization
#560 opened Jul 25, 2023 by HanatoK
6
Allowing custom grid definition for each bias instance
#476 opened May 4, 2022 by giacomofiorin
1 of 6 tasks
1
Discuss Jacobian term in the doc documentation Only affects manual and other docs
#469 opened Mar 25, 2022 by giacomofiorin
3
Offer some way for parser to deal with spaces in file paths non-urgent Long-term improvement parser Only affects the input parser
#412 opened Jul 28, 2021 by jhenin
2
Make ABF inputPrefix accept state files
#355 opened Jun 10, 2020 by jhenin
@jhenin
Smaller variant of multicol files for 3D grids (and beyond)
#348 opened Apr 27, 2020 by jhenin
@giacomofiorin
10
last line of config can be added twice to config_string minor bug technically a bug, does not affect user experience in real life non-urgent Long-term improvement parser Only affects the input parser
#304 opened Dec 5, 2019 by jhenin
@giacomofiorin
Feature request: re-usable components optimization
#232 opened Mar 7, 2019 by jhenin
@giacomofiorin
10
Make corrFunc and runAve restartable biases optimization quick
#228 opened Feb 28, 2019 by giacomofiorin
@giacomofiorin
2
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