Diffusion lammps 6f1162927a78

Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD
6f1162927a78
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Authored by sjplimp <sjplimp@sandia.gov> on Oct 11 2016, 21:39.

Description

Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD

USER-DPD: add support for using VV with DPD

Details

Committed

GitHub <noreply@github.com>

Oct 11 2016, 21:39

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS9507a786f013: USER-DPD: whitespace and indentation fixes
rLAMMPS803dc57bfa23: Merge pull request #214 from akohlmey/make-no-lib-no-mpiio

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Event Timeline

GitHub <noreply@github.com> committed rLAMMPS6f1162927a78: Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD (authored by sjplimp <sjplimp@sandia.gov>).Oct 11 2016, 21:39

Merged Changes

Commit	Author	Details	Committed
9507a786f013	Tim Mattox	USER-DPD: whitespace and indentation fixes	Oct 7 2016
9789f047d78e	Tim Mattox	USER-DPD: update the USER/dpd examples and their reference outputs	Oct 7 2016
e27ed6c94a2e	Tim Mattox	USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes…	Oct 7 2016

Changes (39)

		Path
D		doc/src/Eqs/pair_dpd_conservative.jpg
D		doc/src/Eqs/pair_dpd_conservative.tex
A		doc/src/Eqs/pair_dpd_energy.jpg
A		doc/src/Eqs/pair_dpd_energy.tex
A		doc/src/Eqs/pair_dpd_energy_terms.jpg
A		doc/src/Eqs/pair_dpd_energy_terms.tex
A		doc/src/fix_dpd_energy.txt
M		doc/src/pair_dpd_fdt.txt
M		examples/USER/dpd/README
M		examples/USER/dpd/dpd-shardlow/in.dpd-shardlow
V		examples/USER/dpd/dpd-shardlow/{log.dpd-shardlow.reference ← log.reference}
V		examples/USER/dpd/dpd-shardlow/{log.reference → log.dpd-shardlow.reference}
A	(dir)	examples/USER/dpd/dpd-vv/
A		examples/USER/dpd/dpd-vv/data.dpd
A		examples/USER/dpd/dpd-vv/in.dpd-vv
A		examples/USER/dpd/dpd-vv/log.dpd-vv.reference
M		examples/USER/dpd/dpde-shardlow/in.dpde-shardlow
V		examples/USER/dpd/dpde-shardlow/{log.dpde-shardlow.reference ← log.reference}
V		examples/USER/dpd/dpde-shardlow/{log.reference → log.dpde-shardlow.reference}
A	(dir)	examples/USER/dpd/dpde-vv/
A		examples/USER/dpd/dpde-vv/data.dpd
A		examples/USER/dpd/dpde-vv/in.dpde-vv
A		examples/USER/dpd/dpde-vv/log.dpde-vv.reference
M		examples/USER/dpd/dpdh-shardlow/in.dpdh-shardlow
V		examples/USER/dpd/dpdh-shardlow/{log.dpdh-shardlow.reference ← log.reference}
V		examples/USER/dpd/dpdh-shardlow/{log.reference → log.dpdh-shardlow.reference}
M		examples/USER/dpd/dpdp-shardlow/in.dpdp-shardlow
V		examples/USER/dpd/dpdp-shardlow/{log.dpdp-shardlow.reference ← log.reference}
V		examples/USER/dpd/dpdp-shardlow/{log.reference → log.dpdp-shardlow.reference}
V		examples/USER/dpd/dpdrx-shardlow/{in.dpdrx → in.dpdrx-shardlow}
V		examples/USER/dpd/dpdrx-shardlow/{in.dpdrx-shardlow ← in.dpdrx}
A		examples/USER/dpd/dpdrx-shardlow/log.dpdrx-shardlow.reference
M		src/.gitignore
A		src/USER-DPD/fix_dpd_energy.cpp
A		src/USER-DPD/fix_dpd_energy.h
M		src/USER-DPD/pair_dpd_fdt.cpp
M		src/USER-DPD/pair_dpd_fdt.h
M		src/USER-DPD/pair_dpd_fdt_energy.cpp
M		src/USER-DPD/pair_dpd_fdt_energy.h