48aa45f7f0
Resolved Conflicts (i hope): src/REPLICA/neb.cpp src/REPLICA/prd.cpp src/REPLICA/tad.cpp src/REPLICA/verlet_split.cpp src/USER-CUDA/atom_vec_angle_cuda.h src/USER-CUDA/atom_vec_atomic_cuda.h src/USER-CUDA/atom_vec_charge_cuda.h src/USER-CUDA/atom_vec_full_cuda.h src/USER-CUDA/compute_pe_cuda.h src/USER-CUDA/compute_pressure_cuda.h src/USER-CUDA/compute_temp_cuda.h src/USER-CUDA/compute_temp_partial_cuda.h src/USER-CUDA/cuda.cpp src/USER-CUDA/cuda.h src/USER-CUDA/cuda_data.h src/USER-CUDA/cuda_neigh_list.h src/USER-CUDA/fft3d_cuda.h src/USER-CUDA/fft3d_wrap_cuda.h src/USER-CUDA/fix_addforce_cuda.h src/USER-CUDA/fix_aveforce_cuda.h src/USER-CUDA/fix_enforce2d_cuda.h src/USER-CUDA/fix_freeze_cuda.h src/USER-CUDA/fix_gravity_cuda.h src/USER-CUDA/fix_nve_cuda.h src/USER-CUDA/fix_set_force_cuda.h src/USER-CUDA/fix_temp_berendsen_cuda.h src/USER-CUDA/fix_temp_rescale_cuda.h src/USER-CUDA/fix_temp_rescale_limit_cuda.h src/USER-CUDA/fix_viscous_cuda.h src/USER-CUDA/pair_born_coul_long_cuda.h src/USER-CUDA/pair_buck_coul_cut_cuda.h src/USER-CUDA/pair_buck_coul_long_cuda.h src/USER-CUDA/pair_buck_cuda.h src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.cpp src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.h src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.cpp src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.h src/USER-CUDA/pair_cg_cmm_coul_long_cuda.cpp src/USER-CUDA/pair_cg_cmm_coul_long_cuda.h src/USER-CUDA/pair_cg_cmm_cuda.cpp src/USER-CUDA/pair_cg_cmm_cuda.h src/USER-CUDA/pair_eam_cuda.h src/USER-CUDA/pair_gran_hooke_cuda.h src/USER-CUDA/pair_lj96_cut_cuda.h src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h src/USER-CUDA/pair_lj_charmm_coul_long_cuda.h src/USER-CUDA/pair_lj_class2_coul_cut_cuda.h src/USER-CUDA/pair_lj_class2_coul_long_cuda.h src/USER-CUDA/pair_lj_class2_cuda.h src/USER-CUDA/pair_lj_cut_coul_cut_cuda.h src/USER-CUDA/pair_lj_cut_coul_debye_cuda.h src/USER-CUDA/pair_lj_cut_coul_long_cuda.h src/USER-CUDA/pair_lj_cut_cuda.h src/USER-CUDA/pair_lj_cut_experimental_cuda.h src/USER-CUDA/pair_lj_expand_cuda.h src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h src/USER-CUDA/pair_lj_gromacs_cuda.h src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp src/USER-CUDA/pair_lj_sdk_coul_long_cuda.h src/USER-CUDA/pair_lj_sdk_cuda.h src/USER-CUDA/pair_lj_smooth_cuda.h src/USER-CUDA/pair_morse_cuda.h src/USER-CUDA/pair_sw_cuda.h src/USER-CUDA/pair_tersoff_cuda.h src/USER-CUDA/pair_tersoff_zbl_cuda.h src/USER-CUDA/pppm_cuda.h src/USER-CUDA/verlet_cuda.cpp src/USER-CUDA/verlet_cuda.h src/comm.cpp src/finish.cpp src/fix_rigid_nvt.h src/respa.cpp src/run.cpp
84 lines
2.0 KiB
C++
84 lines
2.0 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef PAIR_CLASS
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PairStyle(dpd,PairDPD)
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#else
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#ifndef LMP_PAIR_DPD_H
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#define LMP_PAIR_DPD_H
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#include "pair.h"
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namespace LAMMPS_NS {
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class PairDPD : public Pair {
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public:
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PairDPD(class LAMMPS *);
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virtual ~PairDPD();
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virtual void compute(int, int);
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virtual void settings(int, char **);
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virtual void coeff(int, char **);
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void init_style();
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double init_one(int, int);
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void write_restart(FILE *);
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void read_restart(FILE *);
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virtual void write_restart_settings(FILE *);
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virtual void read_restart_settings(FILE *);
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double single(int, int, int, int, double, double, double, double &);
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protected:
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double cut_global,temperature;
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int seed;
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double **cut;
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double **a0,**gamma;
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double **sigma;
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class RanMars *random;
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void allocate();
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair dpd requires ghost atoms store velocity
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Use the communicate vel yes command to enable this.
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W: Pair dpd needs newton pair on for momentum conservation
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Self-explanatory.
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E: All pair coeffs are not set
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All pair coefficients must be set in the data file or by the
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pair_coeff command before running a simulation.
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*/
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