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> How about skipping
calc_force_invgrads
after the first step of reinitatoms? Is that possible?
#778
opened Mar 11, 2025 by
giacomofiorin
GPUresident is not working with bias-exchange metadynamics due to "run norepeat" in NAMD
#772
opened Feb 25, 2025 by
fabsugar
Documentation bug: replacements for deprecated keywords can be hard to find
#762
opened Jan 17, 2025 by
EzryStIago
Encode LAMMPS version as a string to use in Colvars doc URLs
documentation
Only affects manual and other docs
#754
opened Dec 3, 2024 by
giacomofiorin
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
Documentation: specify whether total projected forces are available
documentation
Only affects manual and other docs
important
#723
opened Oct 10, 2024 by
jhenin
Allowing the script API to return atom IDs even in scalable computations
#703
opened Jul 10, 2024 by
giacomofiorin
Intel compiler 2019 fails to calculate the eigenvectors correctly
#695
opened Jun 4, 2024 by
HanatoK
Better error message when trying to load coordinates from missing files
#667
opened Mar 5, 2024 by
giacomofiorin
Support external path for Colvars when building GROMACS
GROMACS
#611
opened Oct 23, 2023 by
giacomofiorin
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Updated in the last three days: updated:>2025-03-10.