Diffusion lammps fa984b2c3bbd

Version 13 Oct 2016
fa984b2c3bbd
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 14 2016, 01:56.

Description

Version 13 Oct 2016

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 14 2016, 01:56

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS8540a9f038dd: Version 11 Oct 2016
rLAMMPSd11363c7eb76: Merge pull request #220 from rbberger/fix-doc-makefile

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSfa984b2c3bbd: Version 13 Oct 2016 (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 14 2016, 01:56

Merged Changes

Commit	Author	Details	Committed
d11363c7eb76	sjplimp/GitHub	Merge pull request #220 from rbberger/fix-doc-makefile	Oct 14 2016
5aefb2a88232	sjplimp/GitHub	Merge pull request #219 from akohlmey/python-no-double-load	Oct 14 2016
40f2310a2ab5	sjplimp/GitHub	Merge pull request #218 from timattox/USER-DPD_fix_rx_init_bugfix	Oct 14 2016
2c8a7a318a4a	Steve Plimpton	bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with…	Oct 14 2016
95cca1bd9f63	Richard Berger	Allow building other targets without Python3 and virtualenv	Oct 13 2016
0b426dadc1d1	Axel Kohlmeyer	do not require the LAMMPS shared library when loading the python wrapper from…	Oct 13 2016
fcb52710267a	Tim Mattox	USER-DPD: Initialize the dpdThetaLocal array consistently in fix_rx	Oct 12 2016
4958e114bac6	Tim Mattox	USER-DPD bugfix: Properly initialize the local temperature averaging array.	Oct 12 2016
63e71cd45b27	Steve Plimpton	patch to add DPD-VV	Oct 12 2016
4a5d9eaae23c	sjplimp/GitHub	Merge pull request #217 from akohlmey/small-fixes	Oct 12 2016
4e3a55047f0e	sjplimp/GitHub	Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt	Oct 12 2016
f8a26dd158ff	Axel Kohlmeyer	update Timer::force_timeout() to trigger at next loop iteration	Oct 12 2016
c24bf512f31a	Axel Kohlmeyer	update #include statements for system includes	Oct 12 2016
6b4ab0a39044	Axel Kohlmeyer	update .gitignore	Oct 12 2016
adc98e07df5d	Axel Kohlmeyer	whitespace cleanup in USER-DPD	Oct 12 2016
39a22039e918	Axel Kohlmeyer	correct broken link	Oct 12 2016
b75860048bd7	Axel Kohlmeyer	updates for recent changes to the manual	Oct 12 2016
0eb7fbf34d23	Steve Plimpton	tweaks to new USER-DPD docs	Oct 11 2016
2f07a627a27d	Tim Mattox	Forgot to remove my call to reset_dt()	Oct 11 2016
559637f4bcae	Tim Mattox	USER-DPD Bugfix: reset_dt() is not called when I thought it should be called.	Oct 11 2016
fbf7df14b55f	sjplimp/GitHub	Merge pull request #212 from timattox/USER-DPD_fix_eos_atom_style_checks	Oct 11 2016
6f1162927a78	sjplimp/GitHub	Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD	Oct 11 2016
803dc57bfa23	sjplimp/GitHub	Merge pull request #214 from akohlmey/make-no-lib-no-mpiio	Oct 11 2016
3e8e2911cc15	sjplimp/GitHub	Merge pull request #213 from akohlmey/improper-virial-bugfixes	Oct 11 2016
b00b40bccdfd	Axel Kohlmeyer	make no-lib should also remove MPIIO and USER-LB packages	Oct 11 2016
ef079ae4eb87	Axel Kohlmeyer	bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS	Oct 11 2016
bb0bfd508b2f	Axel Kohlmeyer	Merge branch 'master' into improper-virial-bugfixes	Oct 11 2016
a2b084006467	Tim Mattox	USER-DPD: Add atom_style compatibility checks in fix_eos_*.cpp files.	Oct 10 2016
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
887981cfaa29	Axel Kohlmeyer	bugfix for virial tally for improper style umbrella from Steven Vandenbrande (U…	Oct 6 2016

Changes (83)

		Path
M		doc/Makefile
M		doc/README
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
M		doc/src/Manual.txt
M		doc/src/Section_commands.txt
M		doc/src/compute_pe_atom.txt
M		doc/src/compute_stress_atom.txt
A		doc/src/fix_dpd_energy.txt
M		doc/src/fix_temp_berendsen.txt
M		doc/src/fix_temp_rescale.txt
M		doc/src/fix_wall_gran.txt
M		doc/src/fix_wall_gran_region.txt
M		doc/src/fixes.txt
M		doc/src/pair_dpd_fdt.txt
M		doc/src/read_restart.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		python/lammps.py
M		src/.gitignore
M		src/CLASS2/improper_class2.cpp
M		src/GRANULAR/fix_wall_gran.cpp
M		src/GRANULAR/fix_wall_gran_region.cpp
M		src/GRANULAR/fix_wall_gran_region.h
M		src/MC/fix_bond_create.cpp
M		src/MC/fix_gcmc.cpp
M		src/MOLECULE/improper_umbrella.cpp
M		src/Makefile
A		src/USER-DPD/fix_dpd_energy.cpp
P		src/USER-DPD/fix_dpd_energy.h Copied from src/region_union.h
M		src/USER-DPD/fix_eos_cv.cpp
M		src/USER-DPD/fix_eos_table.cpp
M		src/USER-DPD/fix_eos_table_rx.cpp
M		src/USER-DPD/fix_rx.cpp
M		src/USER-DPD/fix_shardlow.cpp
M		src/USER-DPD/fix_shardlow.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
M		src/USER-DPD/pair_exp6_rx.cpp
M		src/USER-DPD/pair_multi_lucy_rx.cpp
M		src/USER-DPD/pair_table_rx.cpp
M		src/USER-OMP/improper_class2_omp.cpp
M		src/USER-OMP/improper_umbrella_omp.cpp
M		src/fix_recenter.cpp
M		src/fix_temp_rescale.cpp
M		src/lammps.cpp
M		src/region.cpp
M		src/region.h
M		src/region_intersect.cpp
M		src/region_intersect.h
M		src/region_union.cpp
P		src/region_union.h Copied to src/USER-DPD/fix_dpd_energy.h
M		src/timer.cpp
M		src/timer.h
M		src/version.h