Diffusion lammps 725578a97828

Merge branch 'lammps-icms' into lammps-colvars
725578a97828
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 15 2012, 20:37.

Description

Merge branch 'lammps-icms' into lammps-colvars

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jun 15 2012, 20:37

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPSa404a940025f: bugfix for neighbor list bugfix
rLAMMPSa8597772cc79: Merge branch 'lammps-icms' into lammps-colvars

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS725578a97828: Merge branch 'lammps-icms' into lammps-colvars (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 15 2012, 20:37

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.

Commit	Author	Details	Committed
a404a940025f	Axel Kohlmeyer	bugfix for neighbor list bugfix	Jun 15 2012
f33760eaaa2e	Axel Kohlmeyer	delete unused variable	Jun 15 2012
2b40b9c59b62	Axel Kohlmeyer	include neighbor list bugfix into multi-threaded neighbor lists	Jun 15 2012
3b8d49733a11	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Jun 15 2012
9d4050c9126e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8299 f3b2605a-c512-4ea7…	Jun 15 2012
4c4586421771	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8298 f3b2605a-c512-4ea7…	Jun 15 2012
c8e641a72dda	Axel Kohlmeyer	more whitespace cleanup	Jun 15 2012
080dd88101d3	Axel Kohlmeyer	whitespace update	Jun 15 2012
2d454a09d269	Axel Kohlmeyer	add multi-threaded versions of lj/cut/coul/long/tip4p	Jun 15 2012
a5cc6a6f4ac9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8293 f3b2605a-c512-4ea7…	Jun 15 2012
eed35157e7f6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8292 f3b2605a-c512-4ea7…	Jun 15 2012
836e3c217a0d	Axel Kohlmeyer	new version of lj/cut/coul/long/tip4p/opt to match the upcoming optimized…	Jun 15 2012
9d1a80fecbf4	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8290 f3b2605a-c512-4ea7…	Jun 15 2012
0f4be10d4a06	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8289 f3b2605a-c512-4ea7…	Jun 15 2012
55b3a439e7e4	Axel Kohlmeyer	whitespace fixes	Jun 14 2012
0fede4ae98e9	Axel Kohlmeyer	Merge branch 'lammps-icms' into lammps-molfile	Jun 14 2012
5b52b62ff1a2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8288 f3b2605a-c512-4ea7…	Jun 14 2012
6e45914023ff	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8287 f3b2605a-c512-4ea7…	Jun 14 2012
dd4f21087a56	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Jun 14 2012
dbd988364120	Axel Kohlmeyer	more files to ignore	Jun 14 2012
71df78758ce7	Axel Kohlmeyer	add support for reading the atom type with atoi() conversion	Jun 14 2012
f36ab405c58e	Axel Kohlmeyer	add support for reading int and single atom string properties	Jun 14 2012
3bcfa76e171a	Axel Kohlmeyer	realize support for reading velocities	Jun 14 2012
8e3323710b67	Axel Kohlmeyer	add support for reading integer and floating point properties	Jun 14 2012
c31509ac125b	Axel Kohlmeyer	add tests for velocities	Jun 14 2012
a458ed041bd8	Axel Kohlmeyer	add ability to flag whether velocities can be read in	Jun 14 2012
d046cf6a2319	Axel Kohlmeyer	add support for reading the box through molfile.	Jun 14 2012
c27af0d45893	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8284 f3b2605a-c512-4ea7…	Jun 13 2012
3a655e0533f1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8282 f3b2605a-c512-4ea7…	Jun 13 2012
99157504bbde	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8281 f3b2605a-c512-4ea7…	Jun 13 2012
8a402166696d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8280 f3b2605a-c512-4ea7…	Jun 13 2012
03967d227031	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8279 f3b2605a-c512-4ea7…	Jun 13 2012
49a004194cee	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8278 f3b2605a-c512-4ea7…	Jun 13 2012
eff8d7d8c74c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8277 f3b2605a-c512-4ea7…	Jun 13 2012
0cb327257799	Axel Kohlmeyer	include author credit info	Jun 13 2012
1f1772a22a89	Axel Kohlmeyer	update README file with dynamic library info and several corrections and…	Jun 13 2012
82837889542d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8276 f3b2605a-c512-4ea7…	Jun 13 2012
ea82e095bc2c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8274 f3b2605a-c512-4ea7…	Jun 13 2012
9d52068131e0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8273 f3b2605a-c512-4ea7…	Jun 13 2012
e8fac9300b4d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8272 f3b2605a-c512-4ea7…	Jun 13 2012
ee74e0f713d1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8271 f3b2605a-c512-4ea7…	Jun 13 2012
e4e32e471b6f	Axel Kohlmeyer	use null character instead of NULL pointer to terminate a string make box info…	Jun 13 2012
5e37f0cb103d	Axel Kohlmeyer	Merge branch 'lammps-icms' into lammps-molfile	Jun 13 2012
11a4525b5fdb	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Jun 13 2012
597dc8f9d8a3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8270 f3b2605a-c512-4ea7…	Jun 13 2012
d5b8b7531393	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8269 f3b2605a-c512-4ea7…	Jun 13 2012
e1f59347fa87	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8266 f3b2605a-c512-4ea7…	Jun 13 2012
ac9522b391a5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8264 f3b2605a-c512-4ea7…	Jun 13 2012
37d91f2f9fdd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8263 f3b2605a-c512-4ea7…	Jun 13 2012
5c3adddd8545	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8261 f3b2605a-c512-4ea7…	Jun 13 2012

Changes (78)

		Path
M		doc/Section_packages.html
M		doc/Section_packages.txt
M		doc/balance.html
M		doc/balance.txt
M		doc/compute_gyration.html
M		doc/compute_gyration.txt
M		doc/compute_gyration_molecule.html
M		doc/compute_gyration_molecule.txt
M		doc/dump.html
P		doc/dump_molfile.html Copied from doc/dump_molfile.txt
M		doc/read_dump.txt
M		doc/rerun.html
M		doc/rerun.txt
M		doc/variable.html
M		doc/variable.txt
M		examples/rerun/in.rerun
M		lib/README
A	(dir)	lib/molfile/
P		lib/molfile/Makefile.lammps Copied from lib/poems/Makefile.lammps
A		lib/molfile/README
M		src/.gitignore
M		src/FLD/pair_lubricate.cpp
M		src/FLD/pair_lubricate_poly.cpp
M		src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp
M		src/KSPACE/pair_lj_cut_coul_long_tip4p.h
M		src/MAKE/Makefile.serial
M		src/MAKE/Makefile.serial-omp
M		src/MAKE/Makefile.serial-opt
M		src/MAKE/Makefile.serial_debug
M		src/Makefile
M		src/OPT/pair_lj_cut_coul_long_tip4p_opt.cpp
M		src/OPT/pair_lj_cut_coul_long_tip4p_opt.h
M		src/USER-MISC/fix_spring_pull.cpp
M		src/USER-MOLFILE/Install.sh
M		src/USER-MOLFILE/Package.sh
M		src/USER-MOLFILE/README
M		src/USER-MOLFILE/dump_molfile.h
M		src/USER-MOLFILE/molfile_interface.cpp
M		src/USER-MOLFILE/molfile_interface.h
A		src/USER-MOLFILE/reader_molfile.cpp
P		src/USER-MOLFILE/reader_molfile.h Copied from src/reader_xyz.h
M		src/USER-OMP/neigh_full_omp.cpp
M		src/USER-OMP/neigh_half_bin_omp.cpp
M		src/USER-OMP/neigh_half_multi_omp.cpp
M		src/USER-OMP/neigh_half_nsq_omp.cpp
M		src/USER-OMP/neigh_respa_omp.cpp
M		src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
M		src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h
M		src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp
M		src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.h
M		src/balance.cpp
M		src/balance.h
M		src/compute_atom_molecule.cpp
M		src/compute_gyration.cpp
M		src/compute_gyration.h
M		src/compute_gyration_molecule.cpp
M		src/compute_gyration_molecule.h
M		src/compute_inertia.cpp
M		src/domain.cpp
M		src/domain.h
M		src/finish.cpp
M		src/fix_shear_history.cpp
M		src/neigh_full.cpp
M		src/neigh_half_bin.cpp
M		src/neigh_half_multi.cpp
M		src/neigh_half_nsq.cpp
M		src/neigh_respa.cpp
M		src/read_dump.cpp
M		src/read_dump.h
P		src/reader.cpp Copied from src/atom_vec.cpp
M		src/reader.h
M		src/reader_xyz.cpp
M		src/rerun.cpp
M		src/respa.cpp
M		src/variable.cpp
M		src/verlet.cpp
M		src/version.h
M		src/write_restart.cpp