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README | H A D | 30-Sep-2021 | 1.4 KiB | 36 | 25 | |
atom_vec_dpd.cpp | H A D | 30-Sep-2021 | 3.5 KiB | 100 | 51 | |
atom_vec_dpd.h | H A D | 30-Sep-2021 | 1.2 KiB | 53 | 21 | |
compute_dpd.cpp | H A D | 30-Sep-2021 | 2.3 KiB | 88 | 45 | |
compute_dpd.h | H A D | 30-Sep-2021 | 1.4 KiB | 56 | 19 | |
compute_dpd_atom.cpp | H A D | 30-Sep-2021 | 3.1 KiB | 104 | 59 | |
compute_dpd_atom.h | H A D | 30-Sep-2021 | 1.5 KiB | 62 | 21 | |
fix_dpd_energy.cpp | H A D | 30-Sep-2021 | 2.7 KiB | 90 | 54 | |
fix_dpd_energy.h | H A D | 30-Sep-2021 | 1.3 KiB | 53 | 20 | |
fix_eos_cv.cpp | H A D | 30-Sep-2021 | 3.2 KiB | 112 | 71 | |
fix_eos_cv.h | H A D | 30-Sep-2021 | 1.6 KiB | 66 | 21 | |
fix_eos_table.cpp | H A D | 30-Sep-2021 | 13 KiB | 443 | 294 | |
fix_eos_table.h | H A D | 30-Sep-2021 | 3.3 KiB | 130 | 44 | |
fix_eos_table_rx.cpp | H A D | 30-Sep-2021 | 23.9 KiB | 876 | 628 | |
fix_eos_table_rx.h | H A D | 30-Sep-2021 | 4 KiB | 163 | 55 | |
fix_rx.cpp | H A D | 30-Sep-2021 | 56.5 KiB | 1,917 | 1,321 | |
fix_rx.h | H A D | 30-Sep-2021 | 6.1 KiB | 200 | 87 | |
fix_shardlow.cpp | H A D | 30-Sep-2021 | 22.3 KiB | 738 | 512 | |
fix_shardlow.h | H A D | 30-Sep-2021 | 2.9 KiB | 106 | 41 | |
nbin_ssa.cpp | H A D | 30-Sep-2021 | 5.2 KiB | 164 | 106 | |
nbin_ssa.h | H A D | 30-Sep-2021 | 2.9 KiB | 103 | 64 | |
npair_half_bin_newton_ssa.cpp | H A D | 30-Sep-2021 | 10.9 KiB | 319 | 245 | |
npair_half_bin_newton_ssa.h | H A D | 30-Sep-2021 | 1.4 KiB | 59 | 29 | |
nstencil_half_bin_2d_ssa.cpp | H A D | 30-Sep-2021 | 3.8 KiB | 113 | 51 | |
nstencil_half_bin_2d_ssa.h | H A D | 30-Sep-2021 | 1.2 KiB | 44 | 18 | |
nstencil_half_bin_3d_ssa.cpp | H A D | 30-Sep-2021 | 5.3 KiB | 153 | 91 | |
nstencil_half_bin_3d_ssa.h | H A D | 30-Sep-2021 | 1.2 KiB | 44 | 18 | |
nstencil_ssa.h | H A D | 30-Sep-2021 | 1 KiB | 38 | 13 | |
pair_dpd_fdt.cpp | H A D | 30-Sep-2021 | 13.4 KiB | 453 | 305 | |
pair_dpd_fdt.h | H A D | 30-Sep-2021 | 2.2 KiB | 89 | 36 | |
pair_dpd_fdt_energy.cpp | H A D | 30-Sep-2021 | 17.2 KiB | 583 | 405 | |
pair_dpd_fdt_energy.h | H A D | 30-Sep-2021 | 2.4 KiB | 91 | 38 | |
pair_exp6_rx.cpp | H A D | 30-Sep-2021 | 43.8 KiB | 1,307 | 984 | |
pair_exp6_rx.h | H A D | 30-Sep-2021 | 4.1 KiB | 149 | 59 | |
pair_multi_lucy.cpp | H A D | 30-Sep-2021 | 24.9 KiB | 835 | 555 | |
pair_multi_lucy.h | H A D | 30-Sep-2021 | 3.9 KiB | 149 | 54 | |
pair_multi_lucy_rx.cpp | H A D | 30-Sep-2021 | 32.2 KiB | 1,068 | 744 | |
pair_multi_lucy_rx.h | H A D | 30-Sep-2021 | 4.2 KiB | 161 | 59 | |
pair_table_rx.cpp | H A D | 30-Sep-2021 | 18.3 KiB | 580 | 440 | |
pair_table_rx.h | H A D | 30-Sep-2021 | 3.8 KiB | 139 | 25 | |
random_external_state.h | H A D | 30-Sep-2021 | 5.9 KiB | 181 | 81 |
README
1This package implements the dissipative particle dynamics (DPD) method 2under isothermal, isoenergetic, isobaric and isenthalpic conditions. 3The DPD equations of motion are integrated efficiently through the 4Shardlow splitting algorithm. 5 6Currently, the package has the following features: 7 8* A new DPD atom style for tracking the DPD particle internal energies 9 and internal temperature 10 11* Compute commands for accessing the DPD particle internal energies 12 and internal temperature 13 14* "fix eos" commands for relating the DPD internal energy to the DPD 15 internal temperature through a coarse-grained particle 16 equation-of-state 17 18* "fix shardlow" command for integrating the stochastic ODEs 19 20* Pair styles for modeling a DPD fluid 21 22* Commands for setting the particle internal temperature 23 24See the doc pages for "atom style dpd", "compute dpd" and "compute 25dpd/atom", "fix eos/cv" and "fix eos/table", "fix shardlow", "pair 26dpd/conservative" and "pair dpd/fdt" and "pair dpd/fdt/energy" 27commands to get started. At the bottom of the doc page are many links 28to additional documentation contained in the doc/USER/dpd directory. 29 30There are example scripts for using this package in examples/PACKAGES/dpd-react. 31 32The primary people who created this package are James Larentzos 33(james.p.larentzos.civ at mail.mil), Timothy Mattox (Timothy.Mattox at 34engilitycorp.com) and John Brennan (john.k.brennan.civ at mail.mil). 35Contact them directly if you have questions. 36