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Diffusion lammps (lammm-devel) Graph

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CommitAuthorDetailsCommitted
920f6936cbb0sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12908 f3b2605a-c512-4ea7… 
Mar 11 2015
470c5301b2f2sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12907 f3b2605a-c512-4ea7… 
Mar 11 2015
e31e90f92b87sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12906 f3b2605a-c512-4ea7… 
Mar 11 2015
69d3d28f29e5sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12905 f3b2605a-c512-4ea7… 
Mar 11 2015
86a10b759e9asjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12904 f3b2605a-c512-4ea7… 
Mar 11 2015
baf2446a7f2asjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12903 f3b2605a-c512-4ea7… 
Mar 11 2015
9bda2412a171sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12902 f3b2605a-c512-4ea7… 
Mar 11 2015
42204eca3ccfsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12901 f3b2605a-c512-4ea7… 
Mar 11 2015
fd4181c493d4sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12900 f3b2605a-c512-4ea7… 
Mar 11 2015
0276a9ab9807sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12899 f3b2605a-c512-4ea7… 
Mar 11 2015
06ed7cbf4392sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12898 f3b2605a-c512-4ea7… 
Mar 11 2015
91bc0ff76654sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7… 
Mar 11 2015
ad7a69a0da08sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12896 f3b2605a-c512-4ea7… 
Mar 11 2015
a59bfe92df36sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12895 f3b2605a-c512-4ea7… 
Mar 11 2015
8aac6bc2998asjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12892 f3b2605a-c512-4ea7… 
Mar 11 2015
51e78428d987sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12891 f3b2605a-c512-4ea7… 
Mar 11 2015
a632ebaf79e5sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12889 f3b2605a-c512-4ea7… 
Mar 11 2015
314bed580227sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12888 f3b2605a-c512-4ea7… 
Mar 11 2015
6aaec29905f2sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12887 f3b2605a-c512-4ea7… 
Mar 11 2015
0db4837e5117sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12886 f3b2605a-c512-4ea7… 
Mar 11 2015
342d4874e406sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12881 f3b2605a-c512-4ea7… 
Mar 11 2015
2745fde5ae27sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12876 f3b2605a-c512-4ea7… 
Mar 11 2015
b2ca5209d860sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12875 f3b2605a-c512-4ea7… 
Mar 11 2015
820869367db5sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12874 f3b2605a-c512-4ea7… 
Mar 11 2015
43c4ba6a5decsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12872 f3b2605a-c512-4ea7… 
Mar 11 2015
4a8567b7757esjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12870 f3b2605a-c512-4ea7… 
Mar 11 2015
a8189805ec95sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12869 f3b2605a-c512-4ea7… 
Mar 11 2015
76f1b4f6b045sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12868 f3b2605a-c512-4ea7… 
Mar 11 2015
c9049b8a3555sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12867 f3b2605a-c512-4ea7… 
Mar 11 2015
06e98315a84bsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12866 f3b2605a-c512-4ea7… 
Mar 11 2015
512fd655071dsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12865 f3b2605a-c512-4ea7… 
Mar 11 2015
91c1c8f9d3bcsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12864 f3b2605a-c512-4ea7… 
Mar 11 2015
a63f1a7c4e8csjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12863 f3b2605a-c512-4ea7… 
Mar 11 2015
5208061a357csjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12862 f3b2605a-c512-4ea7… 
Mar 11 2015
2912c13e2babsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12861 f3b2605a-c512-4ea7… 
Mar 11 2015
60862c6a3643sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12860 f3b2605a-c512-4ea7… 
Mar 11 2015
eeeb105402b9sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12859 f3b2605a-c512-4ea7… 
Mar 11 2015
88075667d843sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12858 f3b2605a-c512-4ea7… 
Mar 11 2015
ad773e367e05sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12855 f3b2605a-c512-4ea7… 
Mar 11 2015
ff0eb3dbf130sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12854 f3b2605a-c512-4ea7… 
Mar 11 2015
0fccb49c313csjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12853 f3b2605a-c512-4ea7… 
Mar 11 2015
689558a151aeathomps/Pierre de Buyl
Added logfreq2 
Mar 11 2015
57a82f96701bsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12851 f3b2605a-c512-4ea7… 
Mar 11 2015
f33521e2cc65sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12850 f3b2605a-c512-4ea7… 
Mar 11 2015
f1518e847d9bsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12848 f3b2605a-c512-4ea7… 
Mar 11 2015
8d29301ba4fasjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12846 f3b2605a-c512-4ea7… 
Mar 11 2015
8bf30a673f76sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12845 f3b2605a-c512-4ea7… 
Mar 11 2015
7eeba88cb211sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12844 f3b2605a-c512-4ea7… 
Mar 11 2015
02462698425esjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12843 f3b2605a-c512-4ea7… 
Mar 11 2015
2434970eed84sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12842 f3b2605a-c512-4ea7… 
Mar 11 2015
d23a62c31f57sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12841 f3b2605a-c512-4ea7… 
Mar 11 2015
220b2743092esjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12840 f3b2605a-c512-4ea7… 
Mar 11 2015
2429af20a85csjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12838 f3b2605a-c512-4ea7… 
Mar 11 2015
c4b494a75d63sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12836 f3b2605a-c512-4ea7… 
Mar 11 2015
a53fbdde79c4sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12835 f3b2605a-c512-4ea7… 
Mar 11 2015
08ad77a437b8sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12834 f3b2605a-c512-4ea7… 
Mar 11 2015
3564520a5ab3sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12833 f3b2605a-c512-4ea7… 
Mar 11 2015
675712621bb9sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12832 f3b2605a-c512-4ea7… 
Mar 11 2015
19c69668eb01sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12831 f3b2605a-c512-4ea7… 
Mar 11 2015
c4b23f584812sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12830 f3b2605a-c512-4ea7… 
Mar 11 2015
a6ef6fd4751dsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12829 f3b2605a-c512-4ea7… 
Mar 11 2015
24f997ecbb05sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12828 f3b2605a-c512-4ea7… 
Mar 11 2015
42f7f08201ccsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12827 f3b2605a-c512-4ea7… 
Mar 11 2015
859cf367ce4esjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12826 f3b2605a-c512-4ea7… 
Mar 11 2015
0ccfbc23731esjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12824 f3b2605a-c512-4ea7… 
Mar 11 2015
9e9ee8f94905sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12823 f3b2605a-c512-4ea7… 
Mar 11 2015
22230ee74397sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12822 f3b2605a-c512-4ea7… 
Mar 11 2015
06955cfb2065sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12821 f3b2605a-c512-4ea7… 
Mar 11 2015
10aba3855bbesjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12820 f3b2605a-c512-4ea7… 
Mar 11 2015
5eefdbb65980sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12819 f3b2605a-c512-4ea7… 
Mar 11 2015
087b9e3e59f2sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12818 f3b2605a-c512-4ea7… 
Mar 11 2015
9b16b44f953fsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12817 f3b2605a-c512-4ea7… 
Mar 11 2015
a3c57b9ae5d1sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12816 f3b2605a-c512-4ea7… 
Mar 11 2015
ef82ec9d7cb2Pierre de Buyl
add Makefile.lammps as a dependency for target all 
Jan 19 2015
05f4b6013a49Pierre de Buyl
Merge branch 'start_dump_h5md' of github.com:pdebuyl/lammps into start_dump_h5md 
Dec 5 2014
485b411d0f27Pierre de Buyl/Pierre de Buyl
Allow optional author name in dump_h5md 
Dec 5 2014
1b649866aef2Pierre de Buyl/Pierre de Buyl
do not write ch5md_SYS{INC,LIB} if HDF5_PATH not set 
Dec 5 2014
32a0d17b69e8Pierre de Buyl/Pierre de Buyl
Fix typo '-I' -> '-L' in Makefile 
Dec 5 2014
a5b70d2304f8Pierre de Buyl/Pierre de Buyl
create build dir if it does not exist 
Dec 5 2014
518544986760Pierre de Buyl/Pierre de Buyl
Update Makefile to generate properly Makefile.lammps 
Dec 5 2014
1252fb3e6262Pierre de Buyl/Pierre de Buyl
close HDF5 data only on root node 
Dec 5 2014
012da252f80ePierre de Buyl/Pierre de Buyl
add restriction on domain shape 
Dec 5 2014
1fa74d14d508Pierre de Buyl/Pierre de Buyl
Generate error with triclinic domains 
Dec 5 2014
5e63424f304dPierre de Buyl/Pierre de Buyl
Update ch5md and close properly HDF5 identifiers (except file). 
Dec 5 2014
e8de865a3081Pierre de Buyl/Pierre de Buyl
Change the parsing of 'every' for dump_h5md 
Dec 5 2014
41ca64066704Pierre de Buyl/Pierre de Buyl
Make current with respect to txt file. 
Dec 5 2014
6a78fab84ccdPierre de Buyl/Pierre de Buyl
Update for multiple groups and use of write_dump. 
Dec 5 2014
1fddfe78539cPierre de Buyl/Pierre de Buyl
Modify dump_h5md to allow use with write_dump 
Dec 5 2014
f2900c0a52e0Pierre de Buyl/Pierre de Buyl
Allow write_dump to add fixed-in-time elements 
Dec 5 2014
679d74c908bdPierre de Buyl/Pierre de Buyl
Use LAMMPS_VERSION in dump_h5md 
Dec 5 2014
e5c8e4acdc8bPierre de Buyl/Pierre de Buyl
Update documentation of h5md dump style. 
Dec 5 2014
8ee4b05d2be7Pierre de Buyl/Pierre de Buyl
Include box data in the situation where there is no position. 
Dec 5 2014
ec7fd1327d4bPierre de Buyl/Pierre de Buyl
Add link argument to h5md_create_box. 
Dec 5 2014
cc4adb535a65Pierre de Buyl/Pierre de Buyl
Fix k_species count (dimension is always '1' and not 'dim'). 
Dec 5 2014
5509eeef9524Pierre de Buyl/Pierre de Buyl
Force packing and unpacking of all existing elements at each dump. Else, the… 
Dec 5 2014
2443bce1c440Pierre de Buyl/Pierre de Buyl
Add pack and write for velocity, force and species 
Dec 5 2014
e3d12cbafeedPierre de Buyl/Pierre de Buyl
Refactor pack loop 
Dec 5 2014
9717e0983367Pierre de Buyl/Pierre de Buyl
Add variables, argument parsing and h5md elements creation for velocity, force… 
Dec 5 2014
b516393fc6d4Pierre de Buyl/Pierre de Buyl
Remove 'every' check for image, include in position check 
Dec 5 2014
ae115b3fd349Pierre de Buyl/Pierre de Buyl
Make image always match position 
Dec 5 2014
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