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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
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