Diffusion lammps 433e93cbe6fe

Merge branch 'lammps-icms' into qmmm-qe
433e93cbe6fe
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 2 2013, 13:28.

Description

Merge branch 'lammps-icms' into qmmm-qe

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 2 2013, 13:28

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS1b978aad0f80: prepare having two hash tables. fix force conversion.
rLAMMPSf3b6503ffa93: Merge branch 'master' into lammps-icms

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS433e93cbe6fe: Merge branch 'lammps-icms' into qmmm-qe (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 2 2013, 13:28

Merged Changes

Commit	Author	Details	Committed
f3b6503ffa93	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Oct 2 2013
51191ebdc04e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10844 f3b2605a-c512-4ea7…	Oct 1 2013
2a892f05d703	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10843 f3b2605a-c512-4ea7…	Oct 1 2013
35eb67c68ef8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10842 f3b2605a-c512-4ea7…	Oct 1 2013
72d59c438d29	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7…	Oct 1 2013
7d0088da799b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10840 f3b2605a-c512-4ea7…	Oct 1 2013
0a0a430c937e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10839 f3b2605a-c512-4ea7…	Oct 1 2013
09d10121a0e7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10838 f3b2605a-c512-4ea7…	Oct 1 2013
49550263e2ac	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7…	Oct 1 2013
0bbc1aae7b3d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10836 f3b2605a-c512-4ea7…	Oct 1 2013
9714f43e5095	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Sep 29 2013
ead40dfa7ef1	Axel Kohlmeyer	add sanity checks for input parameters.	Sep 29 2013
b5deac416e84	Axel Kohlmeyer	include debug info, when compiling MEAM library	Sep 29 2013
139118e8e7f5	Axel Kohlmeyer	Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…	Sep 29 2013
78474bfe023c	Axel Kohlmeyer	update the input for current LAMMPS	Sep 29 2013
3356e5347620	athomps	Eliminated kmax=0 for triclinic	Sep 27 2013
4609d2c71688	Axel Kohlmeyer	added append flag to log command	Sep 25 2013
0fad40b8188e	Axel Kohlmeyer	Merge remote branch 'lammps-ro/master' into lammps-icms	Sep 24 2013
4601c9a9f401	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10834 f3b2605a-c512-4ea7…	Sep 24 2013
8334d6123dce	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10833 f3b2605a-c512-4ea7…	Sep 24 2013
0724cdd4b6ad	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10832 f3b2605a-c512-4ea7…	Sep 24 2013
6372e27dfe1d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10830 f3b2605a-c512-4ea7…	Sep 23 2013
4545b11a67d7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10829 f3b2605a-c512-4ea7…	Sep 23 2013
335469868f06	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10827 f3b2605a-c512-4ea7…	Sep 23 2013
41356b5eed3b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10826 f3b2605a-c512-4ea7…	Sep 23 2013
99f67ba8bbe9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10825 f3b2605a-c512-4ea7…	Sep 23 2013
995ec050cee4	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10824 f3b2605a-c512-4ea7…	Sep 23 2013
6203761e12cc	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10823 f3b2605a-c512-4ea7…	Sep 23 2013
8b662e5d9534	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10822 f3b2605a-c512-4ea7…	Sep 23 2013
89d315e2c609	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10821 f3b2605a-c512-4ea7…	Sep 23 2013
7d8d8c22be6b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10820 f3b2605a-c512-4ea7…	Sep 23 2013

Changes (23)

				Path
	M			doc/Manual.html
	M			doc/Manual.txt
	M			doc/Section_tools.html
	M			doc/Section_tools.txt
	M			doc/log.html
	M			doc/log.txt
	M			examples/USER/sph/water_collapse/water_collapse.lmp
	M			src/COLLOID/pair_colloid.cpp
	M			src/KSPACE/ewald.cpp
	M			src/MISC/fix_efield.cpp
	M			src/MISC/fix_efield.h
	A			src/USER-REAXC/compute_spec_atom.cpp
	A			src/USER-REAXC/compute_spec_atom.h
	M			src/USER-REAXC/fix_reaxc_species.cpp
	M			src/USER-REAXC/fix_reaxc_species.h
	M			src/USER-REAXC/pair_reax_c.cpp
	M			src/USER-REAXC/pair_reax_c.h
	M			src/fix_ave_histo.cpp
	M			src/input.cpp
	M			src/read_data.cpp
	M			src/version.h
	M			tools/README
	D			tools/thermo_extract.c