Debian Patches
Status for packmol/1:21.0.2-2
| Patch | Description | Author | Forwarded | Bugs | Origin | Last update |
|---|---|---|---|---|---|---|
| initial_coord_PR99.patch | [PATCH] Fix infinite loop guessing initial coordinates | Robin Betz <robin@robinbetz.com> | no | 2025-07-11 | ||
| initial_maxmove_PR98.patch | [PATCH] Initialize maxmove variable for all file types. maxmove sets the number of molecules that may be moved to a better position and defaults to all molecules in the structure section. However this was only being parsed for the pdb file format, resulting in 0 molecules being moved in movebad in heuristics.F90 and failure to converge for inputs of non-pdb file formats. This PR sets the default value regardless of file type and parses it out of the structure section. |
Robin Betz <robin@robinbetz.com> | no | 2025-07-10 |
All known versions for source package 'packmol'
- 1:21.1.0-2 (forky, sid)
- 1:21.0.2-2 (trixie)
- 1:20.14.0-1 (bookworm)