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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH

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This commit is contained in:
Axel Kohlmeyer
2021-06-29 19:45:38 -04:00
parent 8e185a1a12
commit 2d4bb8f38c
58 changed files with 44 additions and 44 deletions
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6
cmake/CMakeLists.txt
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@ -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()

8
cmake/Modules/Packages/USER-SDPD.cmake
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@ -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})

4
cmake/presets/all_off.cmake
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@ -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})

4
cmake/presets/all_on.cmake
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@ -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})

4
cmake/presets/mingw-cross.cmake
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@ -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})

4
cmake/presets/most.cmake
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@ -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)

20
doc/src/Packages_details.rst
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@ -86,7 +86,7 @@ page gives those details.
* :ref:`USER-MANIFOLD <PKG-USER-MANIFOLD>`
* :ref:`USER-MDI <PKG-USER-MDI>`
* :ref:`MEAM <PKG-MEAM>`
* :ref:`USER-MESODPD <PKG-USER-MESODPD>`
* :ref:`DPD-MESO <PKG-DPD-MESO>`
* :ref:`USER-MESONT <PKG-USER-MESONT>`
* :ref:`USER-MGPT <PKG-USER-MGPT>`
* :ref:`USER-MISC <PKG-USER-MISC>`
@ -105,7 +105,7 @@ page gives those details.
* :ref:`USER-REACTION <PKG-USER-REACTION>`
* :ref:`REAXFF <PKG-REAXFF>`
* :ref:`USER-SCAFACOS <PKG-USER-SCAFACOS>`
* :ref:`USER-SDPD <PKG-USER-SDPD>`
* :ref:`DPD-SMOOTH <PKG-DPD-SMOOTH>`
* :ref:`MACHDYN <PKG-MACHDYN>`
* :ref:`USER-SMTBQ <PKG-USER-SMTBQ>`
* :ref:`USER-SPH <PKG-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 <atom_style>`
* :doc:`pair_style edpd <pair_mesodpd>`
* :doc:`pair_style mdpd <pair_mesodpd>`
@ -2418,9 +2418,9 @@ This package has :ref:`specific installation instructions <user-scafacos>` 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 <pair_sdpd_taitwater_isothermal>`
* :doc:`fix meso/move <fix_meso_move>`
* :doc:`fix rigid/meso <fix_rigid_meso>`

4
doc/src/Packages_user.rst
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@ -73,7 +73,7 @@ package:
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`MEAM <PKG-MEAM>` | modified EAM potential (C++) | :doc:`pair_style meam <pair_meam>` | meam | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-MESODPD <PKG-USER-MESODPD>` | mesoscale DPD models | :doc:`pair_style edpd <pair_mesodpd>` | USER/mesodpd | no |
| :ref:`DPD-MESO <PKG-DPD-MESO>` | mesoscale DPD models | :doc:`pair_style edpd <pair_mesodpd>` | USER/mesodpd | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-MESONT <PKG-USER-MESONT>` | mesoscopic tubular potential model for nanotubes | pair style :doc:`mesont/tpm <pair_mesont_tpm>`, :doc:`mesocnt <pair_mesocnt>` | USER/mesont | int |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
@ -111,7 +111,7 @@ package:
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-SCAFACOS <PKG-USER-SCAFACOS>` | wrapper on ScaFaCoS solver | :doc:`kspace_style scafacos <kspace_style>` | USER/scafacos | ext |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`USER-SDPD <PKG-USER-SDPD>` | smoothed dissipative particle dynamics | :doc:`pair_style sdpd/taitwater/isothermal <pair_sdpd_taitwater_isothermal>` | USER/sdpd | no |
| :ref:`DPD-SMOOTH <PKG-DPD-SMOOTH>` | smoothed dissipative particle dynamics | :doc:`pair_style sdpd/taitwater/isothermal <pair_sdpd_taitwater_isothermal>` | USER/sdpd | no |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
| :ref:`MACHDYN <PKG-MACHDYN>` | smoothed Mach dynamics | `SMD User Guide <PDF/SMD_LAMMPS_userguide.pdf>`_ | USER/smd | ext |
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+

2
doc/src/atom_style.rst
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@ -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.

2
doc/src/compute_edpd_temp_atom.rst
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@ -44,7 +44,7 @@ The per-atom vector values will be in temperature :doc:`units <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 <Build_package>` doc page for more info.
Related commands

2
doc/src/compute_tdpd_cc_atom.rst
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@ -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 <Build_package>` doc page for more info.
Related commands

2
doc/src/fix_dpd_source.rst
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@ -77,7 +77,7 @@ the :doc:`run <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 <Build_package>` doc page for more info.
Fix *edpd/source* must be used with the :doc:`pair_style edpd <pair_mesodpd>` command. Fix *tdpd/source* must be used with the

2
doc/src/fix_meso_move.rst
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@ -238,7 +238,7 @@ This fix is not invoked during :doc:`energy minimization <minimize>`.
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
<Build_package>` doc page for more info.

2
doc/src/fix_mvv_dpd.rst
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@ -90,7 +90,7 @@ the :doc:`run <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 <Build_package>` doc page for more info.
Related commands

2
doc/src/fix_rigid_meso.rst
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@ -344,7 +344,7 @@ This fix is not invoked during :doc:`energy minimization <minimize>`.
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 <Build_package>` doc page for more info.

2
doc/src/pair_mesodpd.rst
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@ -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 <Build_package>` doc page for
more info.

2
doc/src/pair_sdpd_taitwater_isothermal.rst
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@ -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 <Build_package>` doc page for more info.
Related commands

4
doc/src/set.rst
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@ -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 <atom_style>` 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 <atom_style>` 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

0
src/USER-MESODPD/README → src/DPD-MESO/README
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0
src/USER-MESODPD/atom_vec_edpd.cpp → src/DPD-MESO/atom_vec_edpd.cpp
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0
src/USER-MESODPD/atom_vec_edpd.h → src/DPD-MESO/atom_vec_edpd.h
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0
src/USER-MESODPD/atom_vec_mdpd.cpp → src/DPD-MESO/atom_vec_mdpd.cpp
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0
src/USER-MESODPD/atom_vec_mdpd.h → src/DPD-MESO/atom_vec_mdpd.h
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0
src/USER-MESODPD/atom_vec_tdpd.cpp → src/DPD-MESO/atom_vec_tdpd.cpp
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0
src/USER-MESODPD/atom_vec_tdpd.h → src/DPD-MESO/atom_vec_tdpd.h
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0
src/USER-MESODPD/compute_edpd_temp_atom.cpp → src/DPD-MESO/compute_edpd_temp_atom.cpp
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0
src/USER-MESODPD/compute_edpd_temp_atom.h → src/DPD-MESO/compute_edpd_temp_atom.h
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0
src/USER-MESODPD/compute_tdpd_cc_atom.cpp → src/DPD-MESO/compute_tdpd_cc_atom.cpp
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0
src/USER-MESODPD/compute_tdpd_cc_atom.h → src/DPD-MESO/compute_tdpd_cc_atom.h
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0
src/USER-MESODPD/fix_edpd_source.cpp → src/DPD-MESO/fix_edpd_source.cpp
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0
src/USER-MESODPD/fix_edpd_source.h → src/DPD-MESO/fix_edpd_source.h
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0
src/USER-MESODPD/fix_mvv_dpd.cpp → src/DPD-MESO/fix_mvv_dpd.cpp
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0
src/USER-MESODPD/fix_mvv_dpd.h → src/DPD-MESO/fix_mvv_dpd.h
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0
src/USER-MESODPD/fix_mvv_edpd.cpp → src/DPD-MESO/fix_mvv_edpd.cpp
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0
src/USER-MESODPD/fix_mvv_edpd.h → src/DPD-MESO/fix_mvv_edpd.h
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0
src/USER-MESODPD/fix_mvv_tdpd.cpp → src/DPD-MESO/fix_mvv_tdpd.cpp
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0
src/USER-MESODPD/fix_mvv_tdpd.h → src/DPD-MESO/fix_mvv_tdpd.h
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0
src/USER-MESODPD/fix_tdpd_source.cpp → src/DPD-MESO/fix_tdpd_source.cpp
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0
src/USER-MESODPD/fix_tdpd_source.h → src/DPD-MESO/fix_tdpd_source.h
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0
src/USER-MESODPD/pair_edpd.cpp → src/DPD-MESO/pair_edpd.cpp
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0
src/USER-MESODPD/pair_edpd.h → src/DPD-MESO/pair_edpd.h
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0
src/USER-MESODPD/pair_mdpd.cpp → src/DPD-MESO/pair_mdpd.cpp
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0
src/USER-MESODPD/pair_mdpd.h → src/DPD-MESO/pair_mdpd.h
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0
src/USER-MESODPD/pair_mdpd_rhosum.cpp → src/DPD-MESO/pair_mdpd_rhosum.cpp
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0
src/USER-MESODPD/pair_mdpd_rhosum.h → src/DPD-MESO/pair_mdpd_rhosum.h
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0
src/USER-MESODPD/pair_tdpd.cpp → src/DPD-MESO/pair_tdpd.cpp
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0
src/USER-MESODPD/pair_tdpd.h → src/DPD-MESO/pair_tdpd.h
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0
src/USER-SDPD/Install.sh → src/DPD-SMOOTH/Install.sh
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0
src/USER-SDPD/README → src/DPD-SMOOTH/README
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0
src/USER-SDPD/fix_meso_move.cpp → src/DPD-SMOOTH/fix_meso_move.cpp
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0
src/USER-SDPD/fix_meso_move.h → src/DPD-SMOOTH/fix_meso_move.h
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0
src/USER-SDPD/fix_rigid_meso.cpp → src/DPD-SMOOTH/fix_rigid_meso.cpp
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0
src/USER-SDPD/fix_rigid_meso.h → src/DPD-SMOOTH/fix_rigid_meso.h
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0
src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp → src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.cpp
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0
src/USER-SDPD/pair_sdpd_taitwater_isothermal.h → src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h
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2
src/Depend.sh
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@ -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

4
src/Makefile
View File

@ -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 \

6
unittest/cplusplus/test_lammps_class.cpp
View File

@ -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");