alchemistry · jaclark5 · Feb 5, 2024 · Feb 5, 2024 · Feb 5, 2024 · Feb 5, 2024
diff --git a/.gitignore b/.gitignore
@@ -6,7 +6,7 @@ build
 docs/_build/
 src/alchemlyb.egg-info/
 __pycache__
-.coverage.*
+.coverage*
 *~
 dist/
 

diff --git a/CHANGES b/CHANGES
@@ -19,6 +19,7 @@ The rules for this file:
 Enhancements
   - Added matrices for entropy and enthalpy for MBAR (PR #406)
   - Parallelise read and preprocess for ABFE workflow. (PR #371)
+  - Add support for LAMMPS FEP files (Issue #349, PR #348)
 
 
 09/19/2024 orbeckst, jaclark5

diff --git a/docs/parsing.rst b/docs/parsing.rst
@@ -240,4 +240,5 @@ See the documentation for the package you are using for more details on parser u
     namd
     gomc
     parquet
+    lammps
 
diff --git a/docs/parsing/alchemlyb.parsing.lammps.rst b/docs/parsing/alchemlyb.parsing.lammps.rst
@@ -0,0 +1,14 @@
+LAMMPS Parsing
+=============
+.. automodule:: alchemlyb.parsing.lammps
+
+API Reference
+-------------
+This submodule includes these parsing functions:
+
+.. autofunction:: alchemlyb.parsing.lammps.extract_dHdl
+.. autofunction:: alchemlyb.parsing.lammps.extract_u_nk
+.. autofunction:: alchemlyb.parsing.lammps.extract_dHdl_from_u_n
+.. autofunction:: alchemlyb.parsing.lammps.extract_u_nk_from_u_n
+.. autofunction:: alchemlyb.parsing.lammps.extract_H
+.. autofunction:: alchemlyb.parsing.lammps.beta_from_units
-Original file line number
+Diff line change
@@ Expand Up @@
         namd
         gomc
         parquet
+        lammps