New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat

cmake/CMakeLists.txt

@@ -138,15 +138,84 @@ install(TARGETS lmp EXPORT LAMMPS_Targets DESTINATION ${CMAKE_INSTALL_BINDIR})
 
 option(CMAKE_VERBOSE_MAKEFILE "Generate verbose Makefiles" OFF)
 
-set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE
+set(STANDARD_PACKAGES
-  GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC ML-IAP MOLECULE PERI POEMS
+  ADIOS
-  PLUGIN QEQ REPLICA RIGID SHOCK SPIN ML-SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
+  ASPHERE
-  ADIOS ATC AWPMD BOCS CG-DNA DPD-MESO CG-SDK
+  ATC
-  COLVARS DIELECTRIC DIFFRACTION DPD-REACT DRUDE EFF FEP
+  AWPMD
-  H5MD ML-HDNNP LATBOLTZ MANIFOLD MDI MEAM MESONT MGPT
+  BOCS
-  USER-MISC MOFFF MOLFILE NETCDF PHONON PLUMED PTM QTB
+  BODY
-  ML-RANN REACTION REAXFF SCAFACOS DPD-SMOOTH MACHDYN SMTBQ SPH
+  BROWNIAN
-  TALLY UEF VTK ML-QUIP QMMM YAFF ML-PACE BROWNIAN)
+  CG-DNA
+  CG-SDK
+  CLASS2
+  COLLOID
+  COLVARS
+  COMPRESS
+  DIELECTRIC
+  DIFFRACTION
+  DIPOLE
+  DPD-BASIC
+  DPD-MESO
+  DPD-REACT
+  DPD-SMOOTH
+  DRUDE
+  EFF
+  FEP
+  GRANULAR
+  H5MD
+  KIM
+  KSPACE
+  LATBOLTZ
+  LATTE
+  MACHDYN
+  MANIFOLD
+  MANYBODY
+  MC
+  MDI
+  MEAM
+  MESONT
+  MESSAGE
+  MGPT
+  MISC
+  ML-HDNNP
+  ML-IAP
+  ML-PACE
+  ML-QUIP
+  ML-RANN
+  ML-SNAP
+  MOFFF
+  MOLECULE
+  MOLFILE
+  MPIIO
+  MSCG
+  NETCDF
+  PERI
+  PHONON
+  PLUGIN
+  PLUMED
+  POEMS
+  PTM
+  PYTHON
+  QEQ
+  QMMM
+  QTB
+  REACTION
+  REAXFF
+  REPLICA
+  RIGID
+  SCAFACOS
+  SHOCK
+  SMTBQ
+  SPH
+  SPIN
+  SRD
+  TALLY
+  UEF
+  USER-MISC
+  VORONOI
+  VTK
+  YAFF)
 
 set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT INTEL OPENMP)
 

cmake/presets/all_off.cmake

@@ -19,6 +19,7 @@ set(ALL_PACKAGES
   DIELECTRIC
   DIFFRACTION
   DIPOLE
+  DPD-BASIC
   DPD-MESO
   DPD-REACT
   DPD-SMOOTH

cmake/presets/all_on.cmake

@@ -21,6 +21,7 @@ set(ALL_PACKAGES
   DIELECTRIC
   DIFFRACTION
   DIPOLE
+  DPD-BASIC
   DPD-MESO
   DPD-REACT
   DPD-SMOOTH

cmake/presets/mingw-cross.cmake

@@ -15,6 +15,7 @@ set(WIN_PACKAGES
   DIELECTRIC
   DIFFRACTION
   DIPOLE
+  DPD-BASIC
   DPD-MESO
   DPD-REACT
   DPD-SMOOTH

cmake/presets/most.cmake

@@ -17,6 +17,7 @@ set(ALL_PACKAGES
   DIELECTRIC
   DIFFRACTION
   DIPOLE
+  DPD-BASIC
   DPD-MESO
   DPD-REACT
   DPD-SMOOTH

doc/src/Packages_details.rst

@@ -43,6 +43,7 @@ page gives those details.
    * :ref:`DIELECTRIC <PKG-DIELECTRIC>`
    * :ref:`DIFFRACTION <PKG-DIFFRACTION>`
    * :ref:`DIPOLE <PKG-DIPOLE>`
+   * :ref:`DPD-BASIC <PKG-DPD-BASIC>`
    * :ref:`DPD-MESO <PKG-DPD-MESO>`
    * :ref:`DPD-REACT <PKG-DPD-REACT>`
    * :ref:`DPD-SMOOTH <PKG-DPD-SMOOTH>`
@@ -560,6 +561,29 @@ short-range or long-range interactions.
 
 ----------
 
+.. _PKG-DPD-BASIC:
+
+DPD-BASIC package
+--------------------
+
+**Contents:**
+
+Pair styles for the basic dissipative particle dynamics (DPD) method
+and DPD thermostatting.
+
+**Author:** Kurt Smith (U Pittsburgh), Martin Svoboda, Martin Lisal (ICPF and UJEP)
+
+**Supporting info:**
+
+* src/DPD-BASIC: filenames -> commands
+* :doc:`pair_style dpd <pair_dpd>`
+* :doc:`pair_style dpd/tstat <pair_dpd>`
+* :doc:`pair_style dpd/ext <pair_dpd_ext>`
+* :doc:`pair_style dpd/ext/tstat <pair_dpd_ext>`
+* examples/PACKAGES/dpd-basic
+
+----------
+
 .. _PKG-DPD-MESO:
 
 DPD-MESO package

doc/src/Packages_list.rst

@@ -113,6 +113,11 @@ whether an extra library is needed to build and use the package:
      - :doc:`pair_style lj/.../dipole <pair_dipole>`
      - dipole
      - no
+   * - :ref:`DPD-BASIC <PKG-DPD-BASIC>`
+     - basic DPD models
+     - :doc:`pair_styles dpd dpd/tstat <pair_dpd>` :doc:`dpd/ext dpd/ext/tstat <pair_dpd_ext>`
+     - PACKAGES/dpd-basic
+     - no
    * - :ref:`DPD-MESO <PKG-DPD-MESO>`
      - mesoscale DPD models
      - :doc:`pair_style edpd <pair_mesodpd>`

doc/src/pair_dpd.rst

@@ -154,14 +154,14 @@ These pair styles do not support the :doc:`pair_modify <pair_modify>`
 tail option for adding long-range tail corrections to energy and
 pressure.
 
-These pair styles writes their information to :doc:`binary restart files <restart>`, so pair_style and pair_coeff commands do not need
+These pair styles write their information to :doc:`binary restart files
-to be specified in an input script that reads a restart file.  Note
+<restart>`, so pair_style and pair_coeff commands do not need to be
-that the user-specified random number seed is stored in the restart
+specified in an input script that reads a restart file.  Note that the
-file, so when a simulation is restarted, each processor will
+user-specified random number seed is stored in the restart file, so when
-re-initialize its random number generator the same way it did
+a simulation is restarted, each processor will re-initialize its random
-initially.  This means the random forces will be random, but will not
+number generator the same way it did initially.  This means the random
-be the same as they would have been if the original simulation had
+forces will be random, but will not be the same as they would have been
-continued past the restart time.
+if the original simulation had continued past the restart time.
 
 These pair styles can only be used via the *pair* keyword of the
 :doc:`run_style respa <run_style>` command.  They do not support the
@@ -177,22 +177,26 @@ this.
 Restrictions
 """"""""""""
 
+These styles are part of the DPD-BASIC package.  They are only enabled if
+LAMMPS was built with that package.  See the :doc:`Build package
+<Build_package>` doc page for more info.
+
 The default frequency for rebuilding neighbor lists is every 10 steps
 (see the :doc:`neigh_modify <neigh_modify>` command). This may be too
-infrequent for style *dpd* simulations since particles move rapidly
+infrequent for style *dpd* simulations since particles move rapidly and
-and can overlap by large amounts.  If this setting yields a non-zero
+can overlap by large amounts.  If this setting yields a non-zero number
-number of "dangerous" reneighborings (printed at the end of a
+of "dangerous" reneighborings (printed at the end of a simulation), you
-simulation), you should experiment with forcing reneighboring more
+should experiment with forcing reneighboring more often and see if
-often and see if system energies/trajectories change.
+system energies/trajectories change.
 
-These pair styles requires you to use the :doc:`comm_modify vel yes <comm_modify>` command so that velocities are stored by ghost
+These pair styles requires you to use the :doc:`comm_modify vel yes
-atoms.
+<comm_modify>` command so that velocities are stored by ghost atoms.
 
 These pair styles will not restart exactly when using the
 :doc:`read_restart <read_restart>` command, though they should provide
-statistically similar results.  This is because the forces they
+statistically similar results.  This is because the forces they compute
-compute depend on atom velocities.  See the
+depend on atom velocities.  See the :doc:`read_restart <read_restart>`
-:doc:`read_restart <read_restart>` command for more details.
+command for more details.
 
 Related commands
 """"""""""""""""

doc/src/pair_dpd_ext.rst

@@ -38,12 +38,19 @@ Examples
 Description
 """""""""""
 
-The style *dpd/ext* computes an extended force field for dissipative particle dynamics (DPD) following the exposition in :ref:`(Groot) <Groot>`, :ref:`(Junghans) <Junghans>`.
+The style *dpd/ext* computes an extended force field for dissipative
+particle dynamics (DPD) following the exposition in :ref:`(Groot)
+<Groot>`, :ref:`(Junghans) <Junghans>`.
 
-Style *dpd/ext/tstat* invokes an extended DPD thermostat on pairwise interactions, equivalent to the non-conservative portion of the extended DPD force field. To use *dpd/ext/tstat* as a thermostat for another pair style, use the :doc:`pair_style hybrid/overlay <pair_hybrid>` command to compute both the desired pair interaction and the thermostat for each pair of particles.
+Style *dpd/ext/tstat* invokes an extended DPD thermostat on pairwise
+interactions, equivalent to the non-conservative portion of the extended
+DPD force field. To use *dpd/ext/tstat* as a thermostat for another pair
+style, use the :doc:`pair_style hybrid/overlay <pair_hybrid>` command to
+compute both the desired pair interaction and the thermostat for each
+pair of particles.
 
-For the style *dpd/ext*\ , the force on atom I due to atom J is given as a sum
+For the style *dpd/ext*\ , the force on atom I due to atom J is given as
-of 3 terms
+a sum of 3 terms
 
 .. math::
 
@@ -53,17 +60,51 @@ of 3 terms
    f^R      = & \sigma_{\parallel} w_{\parallel}(r) \frac{\alpha}{\sqrt{\Delta t}} \hat{\mathbf{r}}_{ij}  + \sigma_{\perp} w_{\perp} (r) ( \mathbf{I} - \hat{\mathbf{r}}_{ij} \hat{\mathbf{r}}_{ij}^{\rm T} ) \frac{\mathbf{\xi}_{ij}}{\sqrt{\Delta t}}\\
    w(r)     = & 1 - r/r_c \\
 
-where :math:`\mathbf{f}^C` is a conservative force, :math:`\mathbf{f}^D` is a dissipative force, and :math:`\mathbf{f}^R` is a random force. :math:`A_{ij}` is the maximum repulsion between the two atoms, :math:`\hat{\mathbf{r}}_{ij}` is a unit vector in the direction :math:`\mathbf{r}_i - \mathbf{r}_j`, :math:`\mathbf{v}_{ij} = \mathbf{v}_i - \mathbf{v}_j` is the vector difference in velocities of the two atoms, :math:`\alpha` and :math:`\mathbf{\xi}_{ij}` are Gaussian random numbers with zero mean and unit variance, :math:`\Delta t` is the timestep, :math:`w (r) = 1 - r / r_c` is a weight function for the conservative interactions that varies between 0 and 1, :math:`r_c` is the corresponding cutoff, :math:`w_{\alpha} ( r ) = ( 1 - r / \bar{r}_c )^{s_{\alpha}}`, :math:`\alpha \equiv ( \parallel, \perp )`, are weight functions with coefficients :math:`s_\alpha` that vary between 0 and 1, :math:`\bar{r}_c` is the corresponding cutoff, :math:`\mathbf{I}` is the unit matrix, :math:`\sigma_{\alpha} = \sqrt{2 k T \gamma_{\alpha}}`, where :math:`k` is the Boltzmann constant and :math:`T` is the temperature in the pair\_style command.
+where :math:`\mathbf{f}^C` is a conservative force, :math:`\mathbf{f}^D`
+is a dissipative force, and :math:`\mathbf{f}^R` is a random
+force. :math:`A_{ij}` is the maximum repulsion between the two atoms,
+:math:`\hat{\mathbf{r}}_{ij}` is a unit vector in the direction
+:math:`\mathbf{r}_i - \mathbf{r}_j`, :math:`\mathbf{v}_{ij} =
+\mathbf{v}_i - \mathbf{v}_j` is the vector difference in velocities of
+the two atoms, :math:`\alpha` and :math:`\mathbf{\xi}_{ij}` are Gaussian
+random numbers with zero mean and unit variance, :math:`\Delta t` is the
+timestep, :math:`w (r) = 1 - r / r_c` is a weight function for the
+conservative interactions that varies between 0 and 1, :math:`r_c` is
+the corresponding cutoff, :math:`w_{\alpha} ( r ) = ( 1 - r / \bar{r}_c
+)^{s_{\alpha}}`, :math:`\alpha \equiv ( \parallel, \perp )`, are weight
+functions with coefficients :math:`s_\alpha` that vary between 0 and 1,
+:math:`\bar{r}_c` is the corresponding cutoff, :math:`\mathbf{I}` is the
+unit matrix, :math:`\sigma_{\alpha} = \sqrt{2 k T \gamma_{\alpha}}`,
+where :math:`k` is the Boltzmann constant and :math:`T` is the
+temperature in the pair\_style command.
 
-For the style *dpd/ext/tstat*\ , the force on atom I due to atom J is the same as the above equation, except that the conservative :math:`\mathbf{f}^C` term is dropped. Also, during the run, T is set each timestep to a ramped value from Tstart to Tstop.
+For the style *dpd/ext/tstat*\ , the force on atom I due to atom J is
+the same as the above equation, except that the conservative
+:math:`\mathbf{f}^C` term is dropped. Also, during the run, T is set
+each timestep to a ramped value from Tstart to Tstop.
 
-For the style *dpd/ext*\ , the pairwise energy associated with style *dpd/ext* is only due to the conservative force term :math:`\mathbf{f}^C`, and is shifted to be zero at the cutoff distance :math:`r_c`. The pairwise virial is calculated using all three terms. There is no pairwise energy for style *dpd/ext/tstat*, but the last two terms of the formula contribute the virial.
+For the style *dpd/ext*\ , the pairwise energy associated with style
+*dpd/ext* is only due to the conservative force term
+:math:`\mathbf{f}^C`, and is shifted to be zero at the cutoff distance
+:math:`r_c`. The pairwise virial is calculated using all three
+terms. There is no pairwise energy for style *dpd/ext/tstat*, but the
+last two terms of the formula contribute the virial.
 
-For the style *dpd/ext/tstat*, the force on atom I due to atom J is the same as the above equation, except that the conservative :math:`\mathbf{f}^C` term is dropped. Also, during the run, T is set each timestep to a ramped value from Tstart to Tstop.
+For the style *dpd/ext/tstat*, the force on atom I due to atom J is the
+same as the above equation, except that the conservative
+:math:`\mathbf{f}^C` term is dropped.  Also, during the run, T is set
+each timestep to a ramped value from Tstart to Tstop.
 
-For the style *dpd/ext*\ , the pairwise energy associated with style *dpd/ext* is only due to the conservative force term :math:`\mathbf{f}^C`, and is shifted to be zero at the cutoff distance :math:`r_c`. The pairwise virial is calculated using all three terms. There is no pairwise energy for style *dpd/ext/tstat*, but the last two terms of the formula contribute the virial.
+For the style *dpd/ext*\ , the pairwise energy associated with style
+*dpd/ext* is only due to the conservative force term
+:math:`\mathbf{f}^C`, and is shifted to be zero at the cutoff distance
+:math:`r_c`. The pairwise virial is calculated using all three
+terms. There is no pairwise energy for style *dpd/ext/tstat*, but the
+last two terms of the formula contribute the virial.
 
-For the style *dpd/ext*, the following coefficients must be defined for each pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command as in the examples above:
+For the style *dpd/ext*, the following coefficients must be defined for
+each pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command
+as in the examples above:
 
 * A (force units)
 * :math:`\gamma_{\perp}` (force/velocity units)
@@ -72,35 +113,55 @@ For the style *dpd/ext*, the following coefficients must be defined for each pai
 * :math:`s_{\parallel}` (unitless)
 * :math:`r_c` (distance units)
 
-The last coefficient is optional. If not specified, the global DPD cutoff is used. Note that :math:`\sigma`'s are set equal to :math:`\sqrt{2 k T \gamma}`, where :math:`T` is the temperature set by the :doc:`pair_style <pair_style>` command so it does not need to be specified.
+The last coefficient is optional. If not specified, the global DPD
+cutoff is used. Note that :math:`\sigma`'s are set equal to
+:math:`\sqrt{2 k T \gamma}`, where :math:`T` is the temperature set by
+the :doc:`pair_style <pair_style>` command so it does not need to be
+specified.
 
-
+For the style *dpd/ext/tstat*, the coefficients defined for each pair of
-For the style *dpd/ext/tstat*, the coefficients defined for each pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command is the same, except that A is not included.
+atoms types via the :doc:`pair_coeff <pair_coeff>` command is the same,
+except that A is not included.
 
 .. note::
 
- If you are modeling DPD polymer chains, you may want to use the :doc:`pair_style srp <pair_srp>` command in conjunction with these pair styles. It is a soft segmental repulsive potential (SRP) that can prevent DPD polymer chains from crossing each other.
+   If you are modeling DPD polymer chains, you may want to use the
+   :doc:`pair_style srp <pair_srp>` command in conjunction with these pair
+   styles. It is a soft segmental repulsive potential (SRP) that can
+   prevent DPD polymer chains from crossing each other.
 
 .. note::
 
- The virial calculation for pressure when using this pair style includes all the components of force listed above, including the random force.
+   The virial calculation for pressure when using this pair style includes
+   all the components of force listed above, including the random force.
 
 ----------
 
 
 **Mixing, shift, table, tail correction, restart, rRESPA info**\ :
 
-The style *dpd/ext* does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly.
+The style *dpd/ext* does not support mixing. Thus, coefficients for all
+I,J pairs must be specified explicitly.
 
-The pair styles do not support the :doc:`pair_modify <pair_modify>` shift option for the energy of the pair interaction. Note that as discussed above, the energy due to the conservative :math:`\mathbf{f}^C` term is already shifted to be zero at the cutoff distance :math:`r_c`.
+The pair styles do not support the :doc:`pair_modify <pair_modify>`
+shift option for the energy of the pair interaction. Note that as
+discussed above, the energy due to the conservative :math:`\mathbf{f}^C`
+term is already shifted to be zero at the cutoff distance :math:`r_c`.
 
-The :doc:`pair_modify <pair_modify>` table option is not relevant for the style *dpd/ext*.
+The :doc:`pair_modify <pair_modify>` table option is not relevant for
+the style *dpd/ext*.
 
-The style *dpd/ext* does not support the :doc:`pair_modify <pair_modify>` tail option for adding long-range tail corrections to energy and pressure.
+The style *dpd/ext* does not support the :doc:`pair_modify
+<pair_modify>` tail option for adding long-range tail corrections to
+energy and pressure.
 
-The pair styles can only be used via the pair keyword of the :doc:`run_style respa <run_style>` command. They do not support the *inner*\ , *middle*\ , and *outer*\  keywords.
+The pair styles can only be used via the pair keyword of the
+:doc:`run_style respa <run_style>` command. They do not support the
+*inner*\ , *middle*\ , and *outer*\ keywords.
 
-The style *dpd/ext/tstat* can ramp its target temperature over multiple runs, using the start and stop keywords of the :doc:`run <run>` command. See the :doc:`run <run>` command for details of how to do this.
+The style *dpd/ext/tstat* can ramp its target temperature over multiple
+runs, using the start and stop keywords of the :doc:`run <run>`
+command. See the :doc:`run <run>` command for details of how to do this.
 
 ----------
 
@@ -108,31 +169,42 @@ The style *dpd/ext/tstat* can ramp its target temperature over multiple runs, us
 Restrictions
 """"""""""""
 
-The default frequency for rebuilding neighbor lists is every 10 steps (see the :doc:`neigh_modify <neigh_modify>` command). This may be too infrequent for style *dpd/ext* simulations since particles move rapidly and can overlap by large amounts. If this setting yields a non-zero number of \say{dangerous} reneighborings (printed at the end of a simulation), you should experiment with forcing reneighboring more often and see if system energies/trajectories change.
+These styles are part of the DPD-BASIC package.  They are only enabled if
+LAMMPS was built with that package.  See the :doc:`Build package
+<Build_package>` doc page for more info.
 
-The pair styles require to use the :doc:`comm_modify vel yes <comm_modify>` command so that velocities are stored by ghost atoms.
+The default frequency for rebuilding neighbor lists is every 10 steps
+(see the :doc:`neigh_modify <neigh_modify>` command). This may be too
+infrequent for style *dpd/ext* simulations since particles move rapidly
+and can overlap by large amounts. If this setting yields a non-zero
+number of \say{dangerous} reneighborings (printed at the end of a
+simulation), you should experiment with forcing reneighboring more often
+and see if system energies/trajectories change.
 
-The pair styles will not restart exactly when using the :doc:`read_restart <read_restart>` command, though they should provide statistically similar results. This is because the forces they compute depend on atom velocities. See the :doc:`read_restart <read_restart>` command for more details.
+The pair styles require to use the :doc:`comm_modify vel yes
+<comm_modify>` command so that velocities are stored by ghost atoms.
+
+The pair styles will not restart exactly when using the
+:doc:`read_restart <read_restart>` command, though they should provide
+statistically similar results. This is because the forces they compute
+depend on atom velocities. See the :doc:`read_restart <read_restart>`
+command for more details.
 
 Related commands
 """"""""""""""""
 
-:doc:`pair_style dpd <pair_dpd>`, :doc:`pair_coeff <pair_coeff>`, :doc:`fix nvt <fix_nh>`, :doc:`fix langevin <fix_langevin>`, :doc:`pair_style srp <pair_srp>`
+:doc:`pair_style dpd <pair_dpd>`, :doc:`pair_coeff <pair_coeff>`,
+:doc:`fix nvt <fix_nh>`, :doc:`fix langevin <fix_langevin>`,
+:doc:`pair_style srp <pair_srp>`
 
 **Default:** none
 
-
 ----------
 
-
 .. _Groot:
 
-
-
 **(Groot)** Groot and Warren, J Chem Phys, 107, 4423-35 (1997).
 
 .. _Junghans:
 
-
-
 **(Junghans)** Junghans, Praprotnik and Kremer, Soft Matter 4, 156, 1119-1128 (2008).

src/.gitignore

@@ -1429,6 +1429,10 @@
 /pair_thole.h
 /pair_buck_mdf.cpp
 /pair_buck_mdf.h
+/pair_dpd.cpp
+/pair_dpd.h
+/pair_dpd_tstat.cpp
+/pair_dpd_tstat.h
 /pair_dpd_ext.cpp
 /pair_dpd_ext.h
 /pair_dpd_ext_tstat.cpp

src/Makefile

@@ -63,6 +63,7 @@ PACKAGE = \
 	coreshell \
 	diffraction \
 	dipole \
+	dpd-basic \
 	dpd-meso \
 	dpd-react \
 	dpd-smooth \
@@ -148,6 +149,7 @@ PACKMOST = \
 	coreshell \
 	diffraction \
 	dipole \
+	dpd-basic \
 	dpd-meso \
 	dpd-react \
 	dpd-smooth \

src/Purge.list

@@ -51,6 +51,11 @@ lmpinstalledpkgs.h
 lmpgitversion.h
 mliap_model_python_couple.cpp
 mliap_model_python_couple.h
+# moved to DPD-BASIC package on 1 July 2021
+pair_dpd.cpp
+pair_dpd.h
+pair_dpd_tstat.cpp
+pair_dpd_tstat.h
 # removed on 14 May 2021
 nstencil_half_bin_2d_newton_ssa.cpp
 nstencil_half_bin_2d_newton_ssa.h

src/USER-MISC/README

@@ -89,8 +89,6 @@ pair_style coul/slater/long, Evangelos Voyiatzis, evoyiatzis at gmail.com, 26 Fe
 pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11
 pair_style e3b, Steven Strong (U Chicago), stevene.strong at gmail dot com, 16 Apr 19
 pair_style drip, Mingjian Wen, University of Minnesota, wenxx151 at umn.edu, 17 Apr 19
-pair_style dpd/ext, Martin Svoboda, Karel Sindelka, Martin Lisal, ICPF and UJEP, svobod.martin at gmail dot com, 23 Apr 21
-pair_style dpd/ext/tstat, Martin Svoboda, Karel Sindelka, Martin Lisal, ICPF and UJEP , svobod.martin at gmail dot com, 23 Apr 21
 pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11
 pair_style extep, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Nov 17
 pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11