USER-ALCHEMICAL (Under Development)

A LAMMPS user package for alchemical free-energy calculations

Name		Name	Last commit message	Last commit date
Latest commit History 45 Commits
test		test
test_coul_dsf_softcore		test_coul_dsf_softcore
.gitignore		.gitignore
Install.sh		Install.sh
LICENSE		LICENSE
README.md		README.md
compute_softcore_grid.cpp		compute_softcore_grid.cpp
compute_softcore_grid.h		compute_softcore_grid.h
fix_rigid.cpp		fix_rigid.cpp
fix_rigid.h		fix_rigid.h
fix_rigid_small.cpp		fix_rigid_small.cpp
fix_rigid_small.h		fix_rigid_small.h
fix_softcore_ee.cpp		fix_softcore_ee.cpp
fix_softcore_ee.h		fix_softcore_ee.h
pair_alchemical.cpp		pair_alchemical.cpp
pair_alchemical.h		pair_alchemical.h
pair_hybrid_softcore.cpp		pair_hybrid_softcore.cpp
pair_hybrid_softcore.h		pair_hybrid_softcore.h
pair_lj_cut_coul_damp_sf_linear.cpp		pair_lj_cut_coul_damp_sf_linear.cpp
pair_lj_cut_coul_damp_sf_linear.h		pair_lj_cut_coul_damp_sf_linear.h
pair_lj_cut_softcore.cpp		pair_lj_cut_softcore.cpp
pair_lj_cut_softcore.h		pair_lj_cut_softcore.h
pair_lj_cut_softcore_old.cpp		pair_lj_cut_softcore_old.cpp
pair_lj_cut_softcore_old.h		pair_lj_cut_softcore_old.h
pair_mie_cut_london.cpp		pair_mie_cut_london.cpp
pair_mie_cut_london.h		pair_mie_cut_london.h
pair_mie_cut_softcore.cpp		pair_mie_cut_softcore.cpp
pair_mie_cut_softcore.h		pair_mie_cut_softcore.h
pair_mie_cut_softcore_london.cpp		pair_mie_cut_softcore_london.cpp
pair_mie_cut_softcore_london.h		pair_mie_cut_softcore_london.h

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