-
Notifications
You must be signed in to change notification settings - Fork 677
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Fixes #3847 Changes made: * Added warning when distance or angle cutoffs produce zero hbonds to clarify a returned value of NaN * Guess_donor uses bonding information when available since it calls hydrogen types anyway * If resnames or names are not available, atom types are used. This is inclusive to LAMMPS users * Change min max constraints documentation to use exclusive bound language Co-authored-by: Jennifer A Clark <[email protected]> Co-authored-by: Oliver Beckstein <[email protected]> Co-authored-by: Irfan Alibay <[email protected]>
- Loading branch information
1 parent
dd92db8
commit 3712439
Showing
4 changed files
with
310 additions
and
75 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.