rename USER-RANN to ML-RANN

cmake/CMakeLists.txt

@@ -145,7 +145,7 @@ set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE
   USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
   USER-H5MD ML-HDNNP USER-LB USER-MANIFOLD USER-MDI USER-MEAMC USER-MESONT USER-MGPT
   USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB
-  USER-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
+  ML-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
   USER-TALLY USER-UEF USER-VTK ML-QUIP USER-QMMM USER-YAFF ML-PACE USER-BROWNIAN)
 
 set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT USER-INTEL USER-OMP)

cmake/presets/all_off.cmake

@@ -9,7 +9,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
   USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
   ML-HDNNP USER-INTEL USER-LB USER-MANIFOLD USER-MDI USER-MEAMC USER-MESODPD
   USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
-  ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP USER-RANN
+  ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
   USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
   USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
 

cmake/presets/all_on.cmake

@@ -11,7 +11,7 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
   USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD
   ML-HDNNP USER-INTEL USER-LB USER-MANIFOLD USER-MDI USER-MEAMC USER-MESODPD
   USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP
-  ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP USER-RANN
+  ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN
   USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
   USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC)
 

doc/src/Packages_details.rst

@@ -101,7 +101,7 @@ page gives those details.
    * :ref:`USER-QMMM <PKG-USER-QMMM>`
    * :ref:`USER-QTB <PKG-USER-QTB>`
    * :ref:`ML-QUIP <PKG-ML-QUIP>`
-   * :ref:`USER-RANN <PKG-USER-RANN>`
+   * :ref:`ML-RANN <PKG-ML-RANN>`
    * :ref:`USER-REACTION <PKG-USER-REACTION>`
    * :ref:`USER-REAXC <PKG-USER-REAXC>`
    * :ref:`USER-SCAFACOS <PKG-USER-SCAFACOS>`
@@ -2301,9 +2301,9 @@ This package has :ref:`specific installation instructions <ml-quip>` on the
 
 ----------
 
-.. _PKG-USER-RANN:
+.. _PKG-ML-RANN:
 
-USER-RANN package
+ML-RANN package
 -----------------
 
 **Contents:**
@@ -2320,7 +2320,7 @@ with contributions by Doyl Dickel, Mississippi State University.
 
 **Supporting info:**
 
-* src/USER-RANN: filenames -> commands
+* src/ML-RANN: filenames -> commands
 * :doc:`pair_style rann <pair_rann>`
 * examples/PACKAGES/rann
 

doc/src/Packages_user.rst

@@ -103,7 +103,7 @@ package:
 +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
 | :ref:`ML-QUIP <PKG-ML-QUIP>`               | QUIP/libatoms interface                                         | :doc:`pair_style quip <pair_quip>`                                            | USER/quip                                            | ext     |
 +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
-| :ref:`USER-RANN <PKG-USER-RANN>`               | rapid atomistic neural network (RANN) potentials                | :doc:`pair rann <pair_rann>`                                                  | USER/rann                                            | no      |
+| :ref:`ML-RANN <PKG-ML-RANN>`               | rapid atomistic neural network (RANN) potentials                | :doc:`pair rann <pair_rann>`                                                  | USER/rann                                            | no      |
 +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
 | :ref:`USER-REACTION <PKG-USER-REACTION>`       | chemical reactions in classical MD                              | :doc:`fix bond/react <fix_bond_react>`                                        | USER/reaction                                        | no      |
 +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+

doc/src/pair_rann.rst

@@ -378,7 +378,7 @@ The activation functions are computed as follows:
 Restrictions
 """"""""""""
 
-Pair style *rann* is part of the USER-RANN package.  It is only enabled if LAMMPS was built with that
+Pair style *rann* is part of the ML-RANN package.  It is only enabled if LAMMPS was built with that
 package.  Additionally, if any spin fingerprint styles are used LAMMPS must be built with the SPIN
 package as well.
 

src/ML-RANN/pair_rann.cpp

@@ -62,7 +62,7 @@ DISTRIBUTION A. Approved for public release; distribution unlimited. OPSEC#4918
 using namespace LAMMPS_NS;
 
 static const char cite_user_rann_package[] =
-  "USER-RANN package:\n\n"
+  "ML-RANN package:\n\n"
   "@Article{Nitol2021,\n"
   " author = {Nitol, Mashroor S and Dickel, Doyl E and Barrett, Christopher D},\n"
   " title = {Artificial neural network potential for pure zinc},\n"

src/Makefile

@@ -57,7 +57,7 @@ PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs cg-dna \
 	   user-mdi user-meamc user-mesodpd user-mesont user-mgpt user-misc \
 	   user-mofff user-molfile user-netcdf user-omp user-phonon \
 	   ml-pace user-plumed user-ptm user-qmmm user-qtb ml-quip \
-	   user-rann user-reaction user-reaxc user-scafacos user-smd user-smtbq \
+	   ml-rann user-reaction user-reaxc user-scafacos user-smd user-smtbq \
 	   user-sdpd user-sph user-tally user-uef user-vtk user-yaff
 
 PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \