SCM-NV / PLAMS

Python Library for Automating Molecular Simulations
https://www.scm.com/doc/plams
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Manual sync from SCM-svn to GitHub from 2024.101 to 2024.102 #129

Closed dormrod closed 4 months ago

dormrod commented 4 months ago

Description This is a manual sync of commits from subversion fix2024 branch, from 2024.101 to 2024.102 (07/06/2024) tags. This will be merged into the fix2024 branch here.

Notes for Reviewer The copied files have been checked by comparing the commits to the subversion equivalent, by using:

git diff --shortstat <2024.101> <2024.102> 4 files changed, 64 insertions(+), 44 deletions(-)

Please could the reviewer double check that the commits align with what they would expect from subversion.

List of contained Commits syncing the following commits: Matti Hellström: fix AMSRedoxScreeningJob SO103 SCMSUITE-9508 Matti Hellström: catch SystemError in unifac.py to allow users to copy scm into other Python envs SO-- Matti Hellström: plams packmol allow small noise in lattice for packmol_on_slab SO--