diff --git a/doc/src/Library_create.rst b/doc/src/Library_create.rst
index 350569e54e..b3fea4b89e 100644
--- a/doc/src/Library_create.rst
+++ b/doc/src/Library_create.rst
@@ -9,6 +9,7 @@ This section documents the following functions:
 - :cpp:func:`lammps_close`
 - :cpp:func:`lammps_mpi_init`
 - :cpp:func:`lammps_mpi_finalize`
+- :cpp:func:`lammps_kokkos_finalize`
 
 --------------------
 
diff --git a/doc/src/Python_create.rst b/doc/src/Python_create.rst
index 00b1c08814..ec4241f36a 100644
--- a/doc/src/Python_create.rst
+++ b/doc/src/Python_create.rst
@@ -134,7 +134,10 @@ compiled with.
 The :py:func:`lmp.close() <lammps.lammps.close()>` call is
 optional since the LAMMPS class instance will also be deleted
 automatically during the :py:class:`lammps <lammps.lammps>` class
-destructor.
+destructor.  Instead of :py:func:`lmp.close() <lammps.lammps.close()>`
+it is also possible to call :py:func:`lmp.finalize() <lammps.lammps.finalize()>`;
+this will destruct the LAMMPS instance, but also finalized and release
+the MPI and/or Kokkos environment if enabled and active.
 
 Note that you can create multiple LAMMPS objects in your Python
 script, and coordinate and run multiple simulations, e.g.
diff --git a/fortran/lammps.f90 b/fortran/lammps.f90
index 21909e1288..2e78cdd00b 100644
--- a/fortran/lammps.f90
+++ b/fortran/lammps.f90
@@ -76,17 +76,15 @@ MODULE LIBLAMMPS
         TYPE(c_ptr), VALUE :: handle
       END SUBROUTINE lammps_close
 
-      SUBROUTINE lammps_mpi_init(handle) BIND(C, name='lammps_mpi_init')
-        IMPORT :: c_ptr
-        TYPE(c_ptr), VALUE :: handle
+      SUBROUTINE lammps_mpi_init() BIND(C, name='lammps_mpi_init')
       END SUBROUTINE lammps_mpi_init
 
-      SUBROUTINE lammps_mpi_finalize(handle) &
-          BIND(C, name='lammps_mpi_finalize')
-        IMPORT :: c_ptr
-        TYPE(c_ptr), VALUE :: handle
+      SUBROUTINE lammps_mpi_finalize() BIND(C, name='lammps_mpi_finalize')
       END SUBROUTINE lammps_mpi_finalize
 
+      SUBROUTINE lammps_kokkos_finalize() BIND(C, name='lammps_kokkos_finalize')
+      END SUBROUTINE lammps_kokkos_finalize
+
       SUBROUTINE lammps_file(handle,filename) BIND(C, name='lammps_file')
         IMPORT :: c_ptr
         TYPE(c_ptr), VALUE :: handle
@@ -188,7 +186,8 @@ CONTAINS
 
     IF (PRESENT(finalize)) THEN
         IF (finalize) THEN
-            CALL lammps_mpi_finalize(self%handle)
+            CALL lammps_kokkos_finalize()
+            CALL lammps_mpi_finalize()
         END IF
     END IF
   END SUBROUTINE lmp_close
diff --git a/python/lammps/core.py b/python/lammps/core.py
index 88eba735b0..c7b51a6b54 100644
--- a/python/lammps/core.py
+++ b/python/lammps/core.py
@@ -460,10 +460,16 @@ class lammps(object):
   # -------------------------------------------------------------------------
 
   def finalize(self):
-    """Shut down the MPI communication through the library interface by calling :cpp:func:`lammps_finalize`.
+    """Shut down the MPI communication and Kokkos environment (if active) through the
+       library interface by  calling :cpp:func:`lammps_mpi_finalize` and
+       :cpp:func:`lammps_kokkos_finalize`.
+
+       You cannot create or use any LAMMPS instances after this function is called
+       unless LAMMPS was compiled without MPI and without Kokkos support.
     """
     self.close()
-    self.lib.lammps_finalize()
+    self.lib.lammps_kokkos_finalize()
+    self.lib.lammps_mpi_finalize()
 
   # -------------------------------------------------------------------------
 
diff --git a/src/library.cpp b/src/library.cpp
index 178364d777..111430ced0 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -334,8 +334,8 @@ The MPI standard requires that any MPI application calls
 do any MPI calls, MPI is still initialized internally to avoid errors
 accessing any MPI functions.  This function should then be called right
 before exiting the program to wait until all (parallel) tasks are
-completed and then MPI is cleanly shut down.  After this function no
-more MPI calls may be made.
+completed and then MPI is cleanly shut down.  After calling this
+function no more MPI calls may be made.
 
 .. versionadded:: 18Sep2020
 
@@ -354,6 +354,23 @@ void lammps_mpi_finalize()
   }
 }
 
+/* ---------------------------------------------------------------------- */
+
+/** Shut down the Kokkos library environment.
+ *
+\verbatim embed:rst
+
+The Kokkos library may only be initialized once during the execution of
+a process.  This is done automatically the first time Kokkos
+functionality is used.  This requires that the Kokkos environment
+must be explicitly shut down after any LAMMPS instance using it is
+closed (to release associated resources).
+After calling this function no Kokkos functionality may be used.
+
+.. versionadded:: TBD
+
+\endverbatim */
+
 void lammps_kokkos_finalize()
 {
   KokkosLMP::finalize();
diff --git a/tools/swig/lammps.i b/tools/swig/lammps.i
index ec37120c07..56547dda53 100644
--- a/tools/swig/lammps.i
+++ b/tools/swig/lammps.i
@@ -63,6 +63,7 @@ extern void  *lammps_open_fortran(int argc, char **argv, int f_comm);
 extern void   lammps_close(void *handle);
 extern void   lammps_mpi_init();
 extern void   lammps_mpi_finalize();
+extern void   lammps_kokkos_finalize();
 extern void   lammps_file(void *handle, const char *file);
 extern char  *lammps_command(void *handle, const char *cmd);
 extern void   lammps_commands_list(void *handle, int ncmd, const char **cmds);
@@ -185,6 +186,7 @@ extern void  *lammps_open_fortran(int argc, char **argv, int f_comm);
 extern void   lammps_close(void *handle);
 extern void   lammps_mpi_init();
 extern void   lammps_mpi_finalize();
+extern void   lammps_kokkos_finalize();
 extern void   lammps_file(void *handle, const char *file);
 extern char  *lammps_command(void *handle, const char *cmd);
 extern void   lammps_commands_list(void *handle, int ncmd, const char **cmds);