Evaporation dependent perturbed Lennard Jones potential#127

Draft

mayukh33 wants to merge 18 commits into

mainfrom

feature/perturbedLJevap

Commits on May 7, 2026

Commits on May 13, 2026

Implement perturbedLJ for evaporation with interpolated variant
mayukh33
committed

Commits on Jun 8, 2026

Add test for interpolated variant and other minor fixes
mayukh33
committed

Commits on Jun 10, 2026

Fix compute forces in PerturbedLennardJonesEvap and other minor fixes
mayukh33
committed

Commits on Jun 12, 2026

Add initial unit tests for PerturbedLennardJonesEvap and other minor fixes
mayukh33
committed

Commits on Jun 17, 2026

Fix linking issue and continue GPU implementation
mayukh33
committed

Commits on Jun 21, 2026

Fix scaled y coordinate for the 2D linear interpolant
mayukh33
committed

Commits on Jun 24, 2026

Move interpolant out of the double for loops and other fixes
mayukh33
committed

Commits on Jun 30, 2026

Apply suggestions and fix GPU code implementation
mayukh33
committed

Commits on Jul 2, 2026

Add support for particle types to set epsilon and sigma and other fixes
mayukh33
committed

Commits on Jul 6, 2026

Add more tests and documentation
mayukh33
committed

Commits on Jul 16, 2026

Merge branch 'main' into feature/perturbedLJevap
mayukh33
authored