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9 Open 5 Closed
9 Open 5 Closed
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Issues list

drop writepines flag. enhancement New feature or request
#23 opened Jul 21, 2023 by sivadasetty
add readme file to examples directory. documentation Improvements or additions to documentation
#20 opened Jul 21, 2023 by sivadasetty
Simplify parameterization of nl_cutoff and switching function parameters for solute-solvent. enhancement New feature or request
#17 opened Jul 20, 2023 by sivadasetty
Inconsistent output from colvar print and writepinestraj. enhancement New feature or request
#16 opened Jul 20, 2023 by sivadasetty
Add helper notes on selecting NL_cutoff and NL_stride. documentation Improvements or additions to documentation
#14 opened Jul 20, 2023 by sivadasetty
Add documentation on ANN function (updated its README) and its alternative PyTorch model via mlcolvar. documentation Improvements or additions to documentation
#11 opened Jul 20, 2023 by sivadasetty
Helper script to create PLUMED file. enhancement New feature or request
#10 opened Jul 20, 2023 by sivadasetty
Support for eliminating specific atom type combinations or blocks. enhancement New feature or request
#9 opened Jul 20, 2023 by sivadasetty
Separate function for processing PDB or input reference structure file. enhancement New feature or request
#4 opened Jul 19, 2023 by sivadasetty
ProTip! Exclude everything labeled bug with -label:bug.