V1.4.3#339

Merged

t-young31 merged 8 commits intomasterfrom v1.4.3

Jun 3, 2024

+1,305-2,834

Commits on Mar 3, 2024

Template (#326 )
t-young31
authored

Commits on Mar 9, 2024

Improve string parsing in reaction.delta method (#325 )

NilsHeunemann
and
t-young31
authored

Commits on Apr 19, 2024

fix no solvent in QRC (#334 )
t-young31
authored

Commits on Apr 22, 2024

Fix error in "atoms_to_xyz_file()" in "input_output.py" (#332 )
SijieFu
authored

Commits on Apr 24, 2024

Allow saving coordinate trajectory on disk (#329 )
shoubhikraj
authored

Commits on May 6, 2024

Refactor Hessian update (#337 )
shoubhikraj
authored

Commits on May 17, 2024

DHS improvements (#338 )
shoubhikraj
authored

Commits on Jun 2, 2024

DHS variable step size (#342 )
shoubhikraj
authored