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READMEH A D30-Sep-20211.4 KiB3625

atom_vec_dpd.cppH A D30-Sep-20213.5 KiB10051

atom_vec_dpd.hH A D30-Sep-20211.2 KiB5321

compute_dpd.cppH A D30-Sep-20212.3 KiB8845

compute_dpd.hH A D30-Sep-20211.4 KiB5619

compute_dpd_atom.cppH A D30-Sep-20213.1 KiB10459

compute_dpd_atom.hH A D30-Sep-20211.5 KiB6221

fix_dpd_energy.cppH A D30-Sep-20212.7 KiB9054

fix_dpd_energy.hH A D30-Sep-20211.3 KiB5320

fix_eos_cv.cppH A D30-Sep-20213.2 KiB11271

fix_eos_cv.hH A D30-Sep-20211.6 KiB6621

fix_eos_table.cppH A D30-Sep-202113 KiB443294

fix_eos_table.hH A D30-Sep-20213.3 KiB13044

fix_eos_table_rx.cppH A D30-Sep-202123.9 KiB876628

fix_eos_table_rx.hH A D30-Sep-20214 KiB16355

fix_rx.cppH A D30-Sep-202156.5 KiB1,9171,321

fix_rx.hH A D30-Sep-20216.1 KiB20087

fix_shardlow.cppH A D30-Sep-202122.3 KiB738512

fix_shardlow.hH A D30-Sep-20212.9 KiB10641

nbin_ssa.cppH A D30-Sep-20215.2 KiB164106

nbin_ssa.hH A D30-Sep-20212.9 KiB10364

npair_half_bin_newton_ssa.cppH A D30-Sep-202110.9 KiB319245

npair_half_bin_newton_ssa.hH A D30-Sep-20211.4 KiB5929

nstencil_half_bin_2d_ssa.cppH A D30-Sep-20213.8 KiB11351

nstencil_half_bin_2d_ssa.hH A D30-Sep-20211.2 KiB4418

nstencil_half_bin_3d_ssa.cppH A D30-Sep-20215.3 KiB15391

nstencil_half_bin_3d_ssa.hH A D30-Sep-20211.2 KiB4418

nstencil_ssa.hH A D30-Sep-20211 KiB3813

pair_dpd_fdt.cppH A D30-Sep-202113.4 KiB453305

pair_dpd_fdt.hH A D30-Sep-20212.2 KiB8936

pair_dpd_fdt_energy.cppH A D30-Sep-202117.2 KiB583405

pair_dpd_fdt_energy.hH A D30-Sep-20212.4 KiB9138

pair_exp6_rx.cppH A D30-Sep-202143.8 KiB1,307984

pair_exp6_rx.hH A D30-Sep-20214.1 KiB14959

pair_multi_lucy.cppH A D30-Sep-202124.9 KiB835555

pair_multi_lucy.hH A D30-Sep-20213.9 KiB14954

pair_multi_lucy_rx.cppH A D30-Sep-202132.2 KiB1,068744

pair_multi_lucy_rx.hH A D30-Sep-20214.2 KiB16159

pair_table_rx.cppH A D30-Sep-202118.3 KiB580440

pair_table_rx.hH A D30-Sep-20213.8 KiB13925

random_external_state.hH A D30-Sep-20215.9 KiB18181

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