Lammps compatibility - #322

Merged

jkalayan merged 6 commits into

mainfrom

lammps-compatibility

Apr 29, 2026

Commits on Apr 28, 2026

include functionality to read LAMMPSDUMP trajectory file
jkalayan
committed
a6ca05e
handle extra restraint bonds to hydrogens for symmetry calcs
jkalayan
committed
5f6b298
handle LAMMPSDUMP with no atom energy information
jkalayan
committed
c0f7a6a

Commits on Apr 29, 2026

Merge remote-tracking branch 'origin/main' into lammps-compatibility
jkalayan
committed
b3ed217
add unit tests for lammps conversion
jkalayan
committed
fffeb83
fix typos and c_7 shape in tests
jkalayan
committed
b2efc26