From 2d4bb8f38c8a3e10e5483a55e2619e74882d3043 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 29 Jun 2021 19:45:38 -0400 Subject: [PATCH] rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH --- cmake/CMakeLists.txt | 6 +++--- cmake/Modules/Packages/USER-SDPD.cmake | 8 ++++---- cmake/presets/all_off.cmake | 4 ++-- cmake/presets/all_on.cmake | 4 ++-- cmake/presets/mingw-cross.cmake | 4 ++-- cmake/presets/most.cmake | 4 ++-- doc/src/Packages_details.rst | 20 +++++++++---------- doc/src/Packages_user.rst | 4 ++-- doc/src/atom_style.rst | 2 +- doc/src/compute_edpd_temp_atom.rst | 2 +- doc/src/compute_tdpd_cc_atom.rst | 2 +- doc/src/fix_dpd_source.rst | 2 +- doc/src/fix_meso_move.rst | 2 +- doc/src/fix_mvv_dpd.rst | 2 +- doc/src/fix_rigid_meso.rst | 2 +- doc/src/pair_mesodpd.rst | 2 +- doc/src/pair_sdpd_taitwater_isothermal.rst | 2 +- doc/src/set.rst | 4 ++-- src/{USER-MESODPD => DPD-MESO}/README | 0 .../atom_vec_edpd.cpp | 0 .../atom_vec_edpd.h | 0 .../atom_vec_mdpd.cpp | 0 .../atom_vec_mdpd.h | 0 .../atom_vec_tdpd.cpp | 0 .../atom_vec_tdpd.h | 0 .../compute_edpd_temp_atom.cpp | 0 .../compute_edpd_temp_atom.h | 0 .../compute_tdpd_cc_atom.cpp | 0 .../compute_tdpd_cc_atom.h | 0 .../fix_edpd_source.cpp | 0 .../fix_edpd_source.h | 0 .../fix_mvv_dpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/fix_mvv_dpd.h | 0 .../fix_mvv_edpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/fix_mvv_edpd.h | 0 .../fix_mvv_tdpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/fix_mvv_tdpd.h | 0 .../fix_tdpd_source.cpp | 0 .../fix_tdpd_source.h | 0 src/{USER-MESODPD => DPD-MESO}/pair_edpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/pair_edpd.h | 0 src/{USER-MESODPD => DPD-MESO}/pair_mdpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/pair_mdpd.h | 0 .../pair_mdpd_rhosum.cpp | 0 .../pair_mdpd_rhosum.h | 0 src/{USER-MESODPD => DPD-MESO}/pair_tdpd.cpp | 0 src/{USER-MESODPD => DPD-MESO}/pair_tdpd.h | 0 src/{USER-SDPD => DPD-SMOOTH}/Install.sh | 0 src/{USER-SDPD => DPD-SMOOTH}/README | 0 .../fix_meso_move.cpp | 0 src/{USER-SDPD => DPD-SMOOTH}/fix_meso_move.h | 0 .../fix_rigid_meso.cpp | 0 .../fix_rigid_meso.h | 0 .../pair_sdpd_taitwater_isothermal.cpp | 0 .../pair_sdpd_taitwater_isothermal.h | 0 src/Depend.sh | 2 +- src/Makefile | 4 ++-- unittest/cplusplus/test_lammps_class.cpp | 6 +++--- 58 files changed, 44 insertions(+), 44 deletions(-) rename src/{USER-MESODPD => DPD-MESO}/README (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_edpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_edpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_mdpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_mdpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_tdpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/atom_vec_tdpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/compute_edpd_temp_atom.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/compute_edpd_temp_atom.h (100%) rename src/{USER-MESODPD => DPD-MESO}/compute_tdpd_cc_atom.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/compute_tdpd_cc_atom.h (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_edpd_source.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_edpd_source.h (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_dpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_dpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_edpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_edpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_tdpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_mvv_tdpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_tdpd_source.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/fix_tdpd_source.h (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_edpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_edpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_mdpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_mdpd.h (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_mdpd_rhosum.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_mdpd_rhosum.h (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_tdpd.cpp (100%) rename src/{USER-MESODPD => DPD-MESO}/pair_tdpd.h (100%) rename src/{USER-SDPD => DPD-SMOOTH}/Install.sh (100%) rename src/{USER-SDPD => DPD-SMOOTH}/README (100%) rename src/{USER-SDPD => DPD-SMOOTH}/fix_meso_move.cpp (100%) rename src/{USER-SDPD => DPD-SMOOTH}/fix_meso_move.h (100%) rename src/{USER-SDPD => DPD-SMOOTH}/fix_rigid_meso.cpp (100%) rename src/{USER-SDPD => DPD-SMOOTH}/fix_rigid_meso.h (100%) rename src/{USER-SDPD => DPD-SMOOTH}/pair_sdpd_taitwater_isothermal.cpp (100%) rename src/{USER-SDPD => DPD-SMOOTH}/pair_sdpd_taitwater_isothermal.h (100%) diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 5edce62767..580625d187 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -141,11 +141,11 @@ option(CMAKE_VERBOSE_MAKEFILE "Generate verbose Makefiles" OFF) set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC ML-IAP MOLECULE PERI POEMS PLUGIN QEQ REPLICA RIGID SHOCK SPIN ML-SNAP SRD KIM PYTHON MSCG MPIIO VORONOI - USER-ADIOS USER-ATC USER-AWPMD USER-BOCS CG-DNA USER-MESODPD CG-SDK + USER-ADIOS USER-ATC USER-AWPMD USER-BOCS CG-DNA DPD-MESO CG-SDK USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION DPD-REACT USER-DRUDE USER-EFF USER-FEP USER-H5MD ML-HDNNP LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB - ML-RANN USER-REACTION REAXFF USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH + ML-RANN USER-REACTION REAXFF USER-SCAFACOS DPD-SMOOTH MACHDYN 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 OPENMP) @@ -496,7 +496,7 @@ endif() # packages which selectively include variants based on enabled styles # e.g. accelerator packages ###################################################################### -foreach(PKG_WITH_INCL CORESHELL QEQ OPENMP USER-SDPD KOKKOS OPT USER-INTEL GPU) +foreach(PKG_WITH_INCL CORESHELL QEQ OPENMP DPD-SMOOTH KOKKOS OPT USER-INTEL GPU) if(PKG_${PKG_WITH_INCL}) include(Packages/${PKG_WITH_INCL}) endif() diff --git a/cmake/Modules/Packages/USER-SDPD.cmake b/cmake/Modules/Packages/USER-SDPD.cmake index c9f419d918..c5271d9091 100644 --- a/cmake/Modules/Packages/USER-SDPD.cmake +++ b/cmake/Modules/Packages/USER-SDPD.cmake @@ -1,13 +1,13 @@ # Fix rigid/meso requires RIGID to be installed -set(USER-SDPD_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/USER-SDPD) +set(DPD-SMOOTH_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/DPD-SMOOTH) get_property(hlist GLOBAL PROPERTY FIX) if(NOT PKG_RIGID) - list(REMOVE_ITEM hlist ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.h) + list(REMOVE_ITEM hlist ${DPD-SMOOTH_SOURCES_DIR}/fix_rigid_meso.h) get_target_property(LAMMPS_SOURCES lammps SOURCES) - list(REMOVE_ITEM LAMMPS_SOURCES ${USER-SDPD_SOURCES_DIR}/fix_rigid_meso.cpp) + list(REMOVE_ITEM LAMMPS_SOURCES ${DPD-SMOOTH_SOURCES_DIR}/fix_rigid_meso.cpp) set_property(TARGET lammps PROPERTY SOURCES ${LAMMPS_SOURCES}) endif() set_property(GLOBAL PROPERTY FIX "${hlist}") -target_include_directories(lammps PRIVATE ${USER-SDPD_SOURCES_DIR}) +target_include_directories(lammps PRIVATE ${DPD-SMOOTH_SOURCES_DIR}) diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake index 3d6f6af15b..0f30bb56ad 100644 --- a/cmake/presets/all_off.cmake +++ b/cmake/presets/all_off.cmake @@ -7,10 +7,10 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU SRD VORONOI USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK USER-COLVARS USER-DIFFRACTION DPD-REACT USER-DRUDE USER-EFF USER-FEP USER-H5MD - ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD + ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM DPD-MESO USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF OPENMP ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN - USER-REACTION REAXFF USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH + USER-REACTION REAXFF USER-SCAFACOS DPD-SMOOTH MACHDYN USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC) foreach(PKG ${ALL_PACKAGES}) diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake index 6942e85c5f..685303c21e 100644 --- a/cmake/presets/all_on.cmake +++ b/cmake/presets/all_on.cmake @@ -9,10 +9,10 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU SRD VORONOI USER-ADIOS USER-ATC USER-AWPMD USER-BROWNIAN USER-BOCS CG-DNA CG-SDK USER-COLVARS USER-DIFFRACTION DPD-REACT USER-DRUDE USER-EFF USER-FEP USER-H5MD - ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM USER-MESODPD + ML-HDNNP USER-INTEL LATBOLTZ USER-MANIFOLD USER-MDI MEAM DPD-MESO USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF OPENMP ML-PACE USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB ML-QUIP ML-RANN - USER-REACTION REAXFF USER-SCAFACOS USER-SDPD MACHDYN USER-SMTBQ USER-SPH + USER-REACTION REAXFF USER-SCAFACOS DPD-SMOOTH MACHDYN USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-YAFF USER-DIELECTRIC) foreach(PKG ${ALL_PACKAGES}) diff --git a/cmake/presets/mingw-cross.cmake b/cmake/presets/mingw-cross.cmake index 4fe7a69823..4f87048797 100644 --- a/cmake/presets/mingw-cross.cmake +++ b/cmake/presets/mingw-cross.cmake @@ -3,10 +3,10 @@ set(WIN_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU PERI POEMS QEQ REPLICA RIGID SHOCK ML-SNAP SPIN SRD VORONOI USER-ATC USER-AWPMD USER-BOCS USER-BROWNIAN CG-DNA CG-SDK USER-COLVARS USER-DIFFRACTION DPD-REACT USER-DRUDE USER-EFF USER-FEP - ML-HDNNP USER-INTEL USER-MANIFOLD USER-MDI MEAM USER-MESODPD + ML-HDNNP USER-INTEL USER-MANIFOLD USER-MDI MEAM DPD-MESO USER-MESONT USER-MISC USER-MGPT USER-MOFFF USER-MOLFILE OPENMP USER-PHONON USER-PTM USER-QTB USER-REACTION REAXFF - USER-SDPD MACHDYN USER-SMTBQ USER-SPH USER-TALLY USER-UEF + DPD-SMOOTH MACHDYN USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-YAFF USER-DIELECTRIC) foreach(PKG ${WIN_PACKAGES}) diff --git a/cmake/presets/most.cmake b/cmake/presets/most.cmake index b6abd3d4aa..2abb87bb51 100644 --- a/cmake/presets/most.cmake +++ b/cmake/presets/most.cmake @@ -7,8 +7,8 @@ set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE PLUGIN POEMS PYTHON QEQ REPLICA RIGID SHOCK ML-SNAP SPIN SRD VORONOI USER-BROWNIAN USER-BOCS CG-DNA CG-SDK USER-COLVARS USER-DIFFRACTION DPD-REACT USER-DRUDE USER-EFF USER-FEP MEAM - USER-MESODPD USER-MISC USER-MOFFF OPENMP USER-PHONON USER-REACTION - REAXFF USER-SDPD USER-SPH MACHDYN USER-UEF USER-YAFF USER-DIELECTRIC) + DPD-MESO USER-MISC USER-MOFFF OPENMP USER-PHONON USER-REACTION + REAXFF DPD-SMOOTH USER-SPH MACHDYN USER-UEF USER-YAFF USER-DIELECTRIC) foreach(PKG ${ALL_PACKAGES}) set(PKG_${PKG} ON CACHE BOOL "" FORCE) diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index 415d8e69ee..fae4ede453 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -86,7 +86,7 @@ page gives those details. * :ref:`USER-MANIFOLD ` * :ref:`USER-MDI ` * :ref:`MEAM ` - * :ref:`USER-MESODPD ` + * :ref:`DPD-MESO ` * :ref:`USER-MESONT ` * :ref:`USER-MGPT ` * :ref:`USER-MISC ` @@ -105,7 +105,7 @@ page gives those details. * :ref:`USER-REACTION ` * :ref:`REAXFF ` * :ref:`USER-SCAFACOS ` - * :ref:`USER-SDPD ` + * :ref:`DPD-SMOOTH ` * :ref:`MACHDYN ` * :ref:`USER-SMTBQ ` * :ref:`USER-SPH ` @@ -1828,9 +1828,9 @@ Sandia. ---------- -.. _PKG-USER-MESODPD: +.. _PKG-DPD-MESO: -USER-MESODPD package +DPD-MESO package -------------------- **Contents:** @@ -1847,8 +1847,8 @@ algorithm. **Supporting info:** -* src/USER-MESODPD: filenames -> commands -* src/USER-MESODPD/README +* src/DPD-MESO: filenames -> commands +* src/DPD-MESO/README * :doc:`atom_style edpd ` * :doc:`pair_style edpd ` * :doc:`pair_style mdpd ` @@ -2418,9 +2418,9 @@ This package has :ref:`specific installation instructions ` on th ---------- -.. _PKG-USER-SDPD: +.. _PKG-DPD-SMOOTH: -USER-SDPD package +DPD-SMOOTH package ----------------- **Contents:** @@ -2437,8 +2437,8 @@ Sciences, Iran). **Supporting info:** -* src/USER-SDPD: filenames -> commands -* src/USER-SDPD/README +* src/DPD-SMOOTH: filenames -> commands +* src/DPD-SMOOTH/README * :doc:`pair_style sdpd/taitwater/isothermal ` * :doc:`fix meso/move ` * :doc:`fix rigid/meso ` diff --git a/doc/src/Packages_user.rst b/doc/src/Packages_user.rst index 997041710a..2a9104ca04 100644 --- a/doc/src/Packages_user.rst +++ b/doc/src/Packages_user.rst @@ -73,7 +73,7 @@ package: +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MEAM ` | modified EAM potential (C++) | :doc:`pair_style meam ` | meam | no | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ -| :ref:`USER-MESODPD ` | mesoscale DPD models | :doc:`pair_style edpd ` | USER/mesodpd | no | +| :ref:`DPD-MESO ` | mesoscale DPD models | :doc:`pair_style edpd ` | USER/mesodpd | no | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ | :ref:`USER-MESONT ` | mesoscopic tubular potential model for nanotubes | pair style :doc:`mesont/tpm `, :doc:`mesocnt ` | USER/mesont | int | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ @@ -111,7 +111,7 @@ package: +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ | :ref:`USER-SCAFACOS ` | wrapper on ScaFaCoS solver | :doc:`kspace_style scafacos ` | USER/scafacos | ext | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ -| :ref:`USER-SDPD ` | smoothed dissipative particle dynamics | :doc:`pair_style sdpd/taitwater/isothermal ` | USER/sdpd | no | +| :ref:`DPD-SMOOTH ` | smoothed dissipative particle dynamics | :doc:`pair_style sdpd/taitwater/isothermal ` | USER/sdpd | no | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MACHDYN ` | smoothed Mach dynamics | `SMD User Guide `_ | USER/smd | ext | +------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+ diff --git a/doc/src/atom_style.rst b/doc/src/atom_style.rst index 9c611e8e51..45cfcd5ae7 100644 --- a/doc/src/atom_style.rst +++ b/doc/src/atom_style.rst @@ -357,7 +357,7 @@ The *electron* style is part of the USER-EFF package for :doc:`electronic force The *dpd* style is part of the DPD-REACT package for dissipative particle dynamics (DPD). -The *edpd*\ , *mdpd*\ , and *tdpd* styles are part of the USER-MESODPD package +The *edpd*\ , *mdpd*\ , and *tdpd* styles are part of the DPD-MESO package for energy-conserving dissipative particle dynamics (eDPD), many-body dissipative particle dynamics (mDPD), and transport dissipative particle dynamics (tDPD), respectively. diff --git a/doc/src/compute_edpd_temp_atom.rst b/doc/src/compute_edpd_temp_atom.rst index e31974f98a..920bda1a87 100644 --- a/doc/src/compute_edpd_temp_atom.rst +++ b/doc/src/compute_edpd_temp_atom.rst @@ -44,7 +44,7 @@ The per-atom vector values will be in temperature :doc:`units `. Restrictions """""""""""" -This compute is part of the USER-MESODPD package. It is only enabled if +This compute is part of the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/compute_tdpd_cc_atom.rst b/doc/src/compute_tdpd_cc_atom.rst index dc18145e72..4c32fc448c 100644 --- a/doc/src/compute_tdpd_cc_atom.rst +++ b/doc/src/compute_tdpd_cc_atom.rst @@ -46,7 +46,7 @@ per unit mass. Restrictions """""""""""" -This compute is part of the USER-MESODPD package. It is only enabled if +This compute is part of the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/fix_dpd_source.rst b/doc/src/fix_dpd_source.rst index 29bbc92f78..5e1b92ae66 100644 --- a/doc/src/fix_dpd_source.rst +++ b/doc/src/fix_dpd_source.rst @@ -77,7 +77,7 @@ the :doc:`run ` command. This fix is not invoked during :doc:`energy minim Restrictions """""""""""" -This fix is part of the USER-MESODPD package. It is only enabled if +This fix is part of the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Fix *edpd/source* must be used with the :doc:`pair_style edpd ` command. Fix *tdpd/source* must be used with the diff --git a/doc/src/fix_meso_move.rst b/doc/src/fix_meso_move.rst index 06b0d16686..6b290382a3 100644 --- a/doc/src/fix_meso_move.rst +++ b/doc/src/fix_meso_move.rst @@ -238,7 +238,7 @@ This fix is not invoked during :doc:`energy minimization `. Restrictions """""""""""" -This fix is part of the USER-SDPD package. It is only enabled if +This fix is part of the DPD-SMOOTH package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. diff --git a/doc/src/fix_mvv_dpd.rst b/doc/src/fix_mvv_dpd.rst index d0df1bd0f9..429c1c3bb7 100644 --- a/doc/src/fix_mvv_dpd.rst +++ b/doc/src/fix_mvv_dpd.rst @@ -90,7 +90,7 @@ the :doc:`run ` command. This fix is not invoked during :doc:`energy minim Restrictions """""""""""" -This fix is part of the USER-MESODPD package. It is only enabled if +This fix is part of the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/fix_rigid_meso.rst b/doc/src/fix_rigid_meso.rst index dea2354bad..32ad4aa6c6 100644 --- a/doc/src/fix_rigid_meso.rst +++ b/doc/src/fix_rigid_meso.rst @@ -344,7 +344,7 @@ This fix is not invoked during :doc:`energy minimization `. Restrictions """""""""""" -This fix is part of the USER-SDPD package and also depends on the RIGID +This fix is part of the DPD-SMOOTH package and also depends on the RIGID package. It is only enabled if LAMMPS was built with both packages. See the :doc:`Build package ` doc page for more info. diff --git a/doc/src/pair_mesodpd.rst b/doc/src/pair_mesodpd.rst index 6f1b40e868..567c14f0ea 100644 --- a/doc/src/pair_mesodpd.rst +++ b/doc/src/pair_mesodpd.rst @@ -299,7 +299,7 @@ Restrictions """""""""""" The pair styles *edpd*\ , *mdpd*\ , *mdpd/rhosum* and *tdpd* are part of -the USER-MESODPD package. It is only enabled if LAMMPS was built with +the DPD-MESO package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. diff --git a/doc/src/pair_sdpd_taitwater_isothermal.rst b/doc/src/pair_sdpd_taitwater_isothermal.rst index b45ac31f63..15a4eb5374 100644 --- a/doc/src/pair_sdpd_taitwater_isothermal.rst +++ b/doc/src/pair_sdpd_taitwater_isothermal.rst @@ -97,7 +97,7 @@ This style can only be used via the *pair* keyword of the :doc:`run_style respa Restrictions """""""""""" -This pair style is part of the USER-SDPD package. It is only enabled +This pair style is part of the DPD-SMOOTH package. It is only enabled if LAMMPS was built with that package. See the :doc:`Build package ` doc page for more info. Related commands diff --git a/doc/src/set.rst b/doc/src/set.rst index cfe8321fd1..28ab2d6d0b 100644 --- a/doc/src/set.rst +++ b/doc/src/set.rst @@ -470,13 +470,13 @@ value >= 0.0, the internal temperature is set to that value. If it is temperature is set to that value. Keywords *edpd/temp* and *edpd/cv* set the temperature and volumetric -heat capacity of an eDPD particle as defined by the USER-MESODPD package. +heat capacity of an eDPD particle as defined by the DPD-MESO package. Currently, only :doc:`atom_style edpd ` defines particles with these attributes. The values for the temperature and heat capacity must be positive. Keyword *cc* sets the chemical concentration of a tDPD particle for a -specified species as defined by the USER-MESODPD package. Currently, only +specified species as defined by the DPD-MESO package. Currently, only :doc:`atom_style tdpd ` defines particles with this attribute. An integer for "index" selects a chemical species (1 to Nspecies) where Nspecies is set by the atom_style command. The value diff --git a/src/USER-MESODPD/README b/src/DPD-MESO/README similarity index 100% rename from src/USER-MESODPD/README rename to src/DPD-MESO/README diff --git a/src/USER-MESODPD/atom_vec_edpd.cpp b/src/DPD-MESO/atom_vec_edpd.cpp similarity index 100% rename from src/USER-MESODPD/atom_vec_edpd.cpp rename to src/DPD-MESO/atom_vec_edpd.cpp diff --git a/src/USER-MESODPD/atom_vec_edpd.h b/src/DPD-MESO/atom_vec_edpd.h similarity index 100% rename from src/USER-MESODPD/atom_vec_edpd.h rename to src/DPD-MESO/atom_vec_edpd.h diff --git a/src/USER-MESODPD/atom_vec_mdpd.cpp b/src/DPD-MESO/atom_vec_mdpd.cpp similarity index 100% rename from src/USER-MESODPD/atom_vec_mdpd.cpp rename to src/DPD-MESO/atom_vec_mdpd.cpp diff --git a/src/USER-MESODPD/atom_vec_mdpd.h b/src/DPD-MESO/atom_vec_mdpd.h similarity index 100% rename from src/USER-MESODPD/atom_vec_mdpd.h rename to src/DPD-MESO/atom_vec_mdpd.h diff --git a/src/USER-MESODPD/atom_vec_tdpd.cpp b/src/DPD-MESO/atom_vec_tdpd.cpp similarity index 100% rename from src/USER-MESODPD/atom_vec_tdpd.cpp rename to src/DPD-MESO/atom_vec_tdpd.cpp diff --git a/src/USER-MESODPD/atom_vec_tdpd.h b/src/DPD-MESO/atom_vec_tdpd.h similarity index 100% rename from src/USER-MESODPD/atom_vec_tdpd.h rename to src/DPD-MESO/atom_vec_tdpd.h diff --git a/src/USER-MESODPD/compute_edpd_temp_atom.cpp b/src/DPD-MESO/compute_edpd_temp_atom.cpp similarity index 100% rename from src/USER-MESODPD/compute_edpd_temp_atom.cpp rename to src/DPD-MESO/compute_edpd_temp_atom.cpp diff --git a/src/USER-MESODPD/compute_edpd_temp_atom.h b/src/DPD-MESO/compute_edpd_temp_atom.h similarity index 100% rename from src/USER-MESODPD/compute_edpd_temp_atom.h rename to src/DPD-MESO/compute_edpd_temp_atom.h diff --git a/src/USER-MESODPD/compute_tdpd_cc_atom.cpp b/src/DPD-MESO/compute_tdpd_cc_atom.cpp similarity index 100% rename from src/USER-MESODPD/compute_tdpd_cc_atom.cpp rename to src/DPD-MESO/compute_tdpd_cc_atom.cpp diff --git a/src/USER-MESODPD/compute_tdpd_cc_atom.h b/src/DPD-MESO/compute_tdpd_cc_atom.h similarity index 100% rename from src/USER-MESODPD/compute_tdpd_cc_atom.h rename to src/DPD-MESO/compute_tdpd_cc_atom.h diff --git a/src/USER-MESODPD/fix_edpd_source.cpp b/src/DPD-MESO/fix_edpd_source.cpp similarity index 100% rename from src/USER-MESODPD/fix_edpd_source.cpp rename to src/DPD-MESO/fix_edpd_source.cpp diff --git a/src/USER-MESODPD/fix_edpd_source.h b/src/DPD-MESO/fix_edpd_source.h similarity index 100% rename from src/USER-MESODPD/fix_edpd_source.h rename to src/DPD-MESO/fix_edpd_source.h diff --git a/src/USER-MESODPD/fix_mvv_dpd.cpp b/src/DPD-MESO/fix_mvv_dpd.cpp similarity index 100% rename from src/USER-MESODPD/fix_mvv_dpd.cpp rename to src/DPD-MESO/fix_mvv_dpd.cpp diff --git a/src/USER-MESODPD/fix_mvv_dpd.h b/src/DPD-MESO/fix_mvv_dpd.h similarity index 100% rename from src/USER-MESODPD/fix_mvv_dpd.h rename to src/DPD-MESO/fix_mvv_dpd.h diff --git a/src/USER-MESODPD/fix_mvv_edpd.cpp b/src/DPD-MESO/fix_mvv_edpd.cpp similarity index 100% rename from src/USER-MESODPD/fix_mvv_edpd.cpp rename to src/DPD-MESO/fix_mvv_edpd.cpp diff --git a/src/USER-MESODPD/fix_mvv_edpd.h b/src/DPD-MESO/fix_mvv_edpd.h similarity index 100% rename from src/USER-MESODPD/fix_mvv_edpd.h rename to src/DPD-MESO/fix_mvv_edpd.h diff --git a/src/USER-MESODPD/fix_mvv_tdpd.cpp b/src/DPD-MESO/fix_mvv_tdpd.cpp similarity index 100% rename from src/USER-MESODPD/fix_mvv_tdpd.cpp rename to src/DPD-MESO/fix_mvv_tdpd.cpp diff --git a/src/USER-MESODPD/fix_mvv_tdpd.h b/src/DPD-MESO/fix_mvv_tdpd.h similarity index 100% rename from src/USER-MESODPD/fix_mvv_tdpd.h rename to src/DPD-MESO/fix_mvv_tdpd.h diff --git a/src/USER-MESODPD/fix_tdpd_source.cpp b/src/DPD-MESO/fix_tdpd_source.cpp similarity index 100% rename from src/USER-MESODPD/fix_tdpd_source.cpp rename to src/DPD-MESO/fix_tdpd_source.cpp diff --git a/src/USER-MESODPD/fix_tdpd_source.h b/src/DPD-MESO/fix_tdpd_source.h similarity index 100% rename from src/USER-MESODPD/fix_tdpd_source.h rename to src/DPD-MESO/fix_tdpd_source.h diff --git a/src/USER-MESODPD/pair_edpd.cpp b/src/DPD-MESO/pair_edpd.cpp similarity index 100% rename from src/USER-MESODPD/pair_edpd.cpp rename to src/DPD-MESO/pair_edpd.cpp diff --git a/src/USER-MESODPD/pair_edpd.h b/src/DPD-MESO/pair_edpd.h similarity index 100% rename from src/USER-MESODPD/pair_edpd.h rename to src/DPD-MESO/pair_edpd.h diff --git a/src/USER-MESODPD/pair_mdpd.cpp b/src/DPD-MESO/pair_mdpd.cpp similarity index 100% rename from src/USER-MESODPD/pair_mdpd.cpp rename to src/DPD-MESO/pair_mdpd.cpp diff --git a/src/USER-MESODPD/pair_mdpd.h b/src/DPD-MESO/pair_mdpd.h similarity index 100% rename from src/USER-MESODPD/pair_mdpd.h rename to src/DPD-MESO/pair_mdpd.h diff --git a/src/USER-MESODPD/pair_mdpd_rhosum.cpp b/src/DPD-MESO/pair_mdpd_rhosum.cpp similarity index 100% rename from src/USER-MESODPD/pair_mdpd_rhosum.cpp rename to src/DPD-MESO/pair_mdpd_rhosum.cpp diff --git a/src/USER-MESODPD/pair_mdpd_rhosum.h b/src/DPD-MESO/pair_mdpd_rhosum.h similarity index 100% rename from src/USER-MESODPD/pair_mdpd_rhosum.h rename to src/DPD-MESO/pair_mdpd_rhosum.h diff --git a/src/USER-MESODPD/pair_tdpd.cpp b/src/DPD-MESO/pair_tdpd.cpp similarity index 100% rename from src/USER-MESODPD/pair_tdpd.cpp rename to src/DPD-MESO/pair_tdpd.cpp diff --git a/src/USER-MESODPD/pair_tdpd.h b/src/DPD-MESO/pair_tdpd.h similarity index 100% rename from src/USER-MESODPD/pair_tdpd.h rename to src/DPD-MESO/pair_tdpd.h diff --git a/src/USER-SDPD/Install.sh b/src/DPD-SMOOTH/Install.sh similarity index 100% rename from src/USER-SDPD/Install.sh rename to src/DPD-SMOOTH/Install.sh diff --git a/src/USER-SDPD/README b/src/DPD-SMOOTH/README similarity index 100% rename from src/USER-SDPD/README rename to src/DPD-SMOOTH/README diff --git a/src/USER-SDPD/fix_meso_move.cpp b/src/DPD-SMOOTH/fix_meso_move.cpp similarity index 100% rename from src/USER-SDPD/fix_meso_move.cpp rename to src/DPD-SMOOTH/fix_meso_move.cpp diff --git a/src/USER-SDPD/fix_meso_move.h b/src/DPD-SMOOTH/fix_meso_move.h similarity index 100% rename from src/USER-SDPD/fix_meso_move.h rename to src/DPD-SMOOTH/fix_meso_move.h diff --git a/src/USER-SDPD/fix_rigid_meso.cpp b/src/DPD-SMOOTH/fix_rigid_meso.cpp similarity index 100% rename from src/USER-SDPD/fix_rigid_meso.cpp rename to src/DPD-SMOOTH/fix_rigid_meso.cpp diff --git a/src/USER-SDPD/fix_rigid_meso.h b/src/DPD-SMOOTH/fix_rigid_meso.h similarity index 100% rename from src/USER-SDPD/fix_rigid_meso.h rename to src/DPD-SMOOTH/fix_rigid_meso.h diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.cpp similarity index 100% rename from src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp rename to src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.cpp diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h b/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h similarity index 100% rename from src/USER-SDPD/pair_sdpd_taitwater_isothermal.h rename to src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h diff --git a/src/Depend.sh b/src/Depend.sh index 801ba17f58..620421fbd7 100755 --- a/src/Depend.sh +++ b/src/Depend.sh @@ -113,7 +113,7 @@ fi if (test $1 = "RIGID") then depend KOKKOS depend OPENMP - depend USER-SDPD + depend DPD-SMOOTH fi if (test $1 = "ML-SNAP") then diff --git a/src/Makefile b/src/Makefile index 244034c0ed..cb10a16337 100644 --- a/src/Makefile +++ b/src/Makefile @@ -54,11 +54,11 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \ PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs cg-dna \ cg-sdk user-colvars user-dielectric user-diffraction dpd-react user-drude \ user-eff user-fep user-h5md ml-hdnnp user-intel latboltz user-manifold \ - user-mdi meam user-mesodpd user-mesont user-mgpt user-misc \ + user-mdi meam dpd-meso user-mesont user-mgpt user-misc \ user-mofff user-molfile user-netcdf openmp user-phonon \ ml-pace user-plumed user-ptm user-qmmm user-qtb ml-quip \ ml-rann user-reaction reaxff user-scafacos machdyn user-smtbq \ - user-sdpd user-sph user-tally user-uef user-vtk user-yaff + dpd-smooth user-sph user-tally user-uef user-vtk user-yaff PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \ user-adios user-atc user-awpmd user-colvars user-h5md ml-hdnnp latboltz user-mdi \ diff --git a/unittest/cplusplus/test_lammps_class.cpp b/unittest/cplusplus/test_lammps_class.cpp index c0c88fc0a1..e0d2dcf14b 100644 --- a/unittest/cplusplus/test_lammps_class.cpp +++ b/unittest/cplusplus/test_lammps_class.cpp @@ -137,11 +137,11 @@ TEST_F(LAMMPS_plain, TestStyles) found = lmp->match_style("atom", "dpd"); EXPECT_STREQ(found, "DPD-REACT"); found = lmp->match_style("atom", "edpd"); - EXPECT_STREQ(found, "USER-MESODPD"); + EXPECT_STREQ(found, "DPD-MESO"); found = lmp->match_style("atom", "mdpd"); - EXPECT_STREQ(found, "USER-MESODPD"); + EXPECT_STREQ(found, "DPD-MESO"); found = lmp->match_style("atom", "tdpd"); - EXPECT_STREQ(found, "USER-MESODPD"); + EXPECT_STREQ(found, "DPD-MESO"); found = lmp->match_style("atom", "spin"); EXPECT_STREQ(found, "SPIN"); found = lmp->match_style("atom", "smd");