Add CMAPTorsionForce support - #1695

Merged

IAlibay merged 15 commits into

mainfrom

Dec 1, 2025

Commits on Nov 25, 2025

add cmaptorsion support and htf tests
jthorton
committed
a0d5da6
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
987e1e7
keep only cmap related tests
jthorton
committed
eda69d5
Merge remote-tracking branch 'origin/cmap_supp' into cmap_supp
jthorton
committed
f98e5bb
fix mypy errors
jthorton
committed
9a58eeb
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
cd35a40

Commits on Nov 26, 2025

Merge branch 'main' into cmap_supp
IAlibay
authored
c33c345
fix issues with confusing units
IAlibay
authored
a660b5e

Commits on Nov 27, 2025

Update openfe/protocols/openmm_rfe/_rfe_utils/relative.py

jthorton
and
atravitz
authored
ded278f
PR feedback
jthorton
committed
501a11c
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
fabda5d
add news and test file
jthorton
committed
aa19425
fix test files
jthorton
committed
a715a72

Commits on Dec 1, 2025

Update news/cmap_support.rst

jthorton
and
IAlibay
authored
c3e3436
move helpers, undo htf change
jthorton
committed
1986599