Diffusion lammps (lammm-master) History

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…

Nov 16 2015

Merge branch 'merge-pull-18' into lammps-icms
94a7abe3d112
·Axel Kohlmeyer on Nov 16 2015, 21:07.
Merge branch 'library_enhancement' of git://github.com/rbberger/lammps into…
62ae2f133693
·Axel Kohlmeyer on Nov 16 2015, 21:07.
correct minor issues detected by coverity scan
89b0ebe64a35
·Axel Kohlmeyer on Nov 16 2015, 21:06.
Avoid allocation of secondary buffer by using MPI_IN_PLACE
664024171033
·Richard Berger on Nov 16 2015, 18:49.
Updated compute hexorder/atom, added compute orientorder/atom
9dc8102ac4a3
·athomps on Nov 16 2015, 18:45.
incorporate GPU package update from Trung
8689bf35f9fe
·Axel Kohlmeyer on Nov 16 2015, 17:21.
remove unused variable
403190037861
·Axel Kohlmeyer on Nov 16 2015, 12:45.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ee1bdc351862
·Axel Kohlmeyer on Nov 16 2015, 12:43.

Nov 15 2015

Updated compute hexorder/atom, added compute orientorder/atom
70aba85d3130
·athomps on Nov 15 2015, 23:34.

Nov 13 2015

create ancillary fix SRP instance in pair srp constructor.
7bf781c1f6e3
·Axel Kohlmeyer on Nov 13 2015, 20:02.

Nov 12 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
05a6acc349e9
·Axel Kohlmeyer on Nov 12 2015, 13:26.
Fixed error in onemols initialization when gcmc uses non-first molecule template
da1a3ac83af4
·athomps on Nov 12 2015, 00:39.
Fixed uninitialized variable for multiple molecule in set
4c19f6060626
·athomps on Nov 12 2015, 00:37.

Nov 11 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3d144ab366cd
·Axel Kohlmeyer on Nov 11 2015, 13:42.
remove molecule template index bug in fix gcmc
b3aec4ebd8f1
·Axel Kohlmeyer on Nov 11 2015, 01:03.

Nov 10 2015

got rid of std:complex_literals i1
a61df922c3b8
·athomps on Nov 10 2015, 17:47.

Nov 9 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9bbfe36cb78b
·Axel Kohlmeyer on Nov 9 2015, 00:06.

Nov 7 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14245 f3b2605a-c512-4ea7…
6d6d8345bf00
·sjplimp on Nov 7 2015, 22:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7…
b741a7771217
·sjplimp on Nov 7 2015, 22:03.

Nov 5 2015

delete unused variable
58adf9acd5e3
·Axel Kohlmeyer on Nov 5 2015, 17:45.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c4705033e428
·Axel Kohlmeyer on Nov 5 2015, 17:42.
Added hexatic bond orientational order parameter
fa9af07140ba
·athomps on Nov 5 2015, 07:58.
Added hexatic bond orientational order parameter
3bc7350704d2
·athomps on Nov 5 2015, 07:53.
Added hexatic bond orientational order parameter
4f71701e4ef2
·athomps on Nov 5 2015, 02:33.
Added hexatic bond orientational order parameter
a91bbaf7f276
·athomps on Nov 5 2015, 00:56.

Nov 4 2015

remove unused variable
1cd94a1fbad0
·Axel Kohlmeyer on Nov 4 2015, 13:04.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
39ba7e72b23e
·Axel Kohlmeyer on Nov 4 2015, 13:03.
Added hexatic bond orientational order parameter
f227080d703c
·athomps on Nov 4 2015, 06:18.

Oct 31 2015

make STUBS compatible with cleanup script
a8bc0e179f19
·Axel Kohlmeyer on Oct 31 2015, 15:55.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1e9a4cc4b808
·Axel Kohlmeyer on Oct 31 2015, 15:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14227 f3b2605a-c512-4ea7…
34e1f5c71e86
·sjplimp on Oct 31 2015, 00:45.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14225 f3b2605a-c512-4ea7…
a2481116c573
·sjplimp on Oct 30 2015, 23:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14221 f3b2605a-c512-4ea7…
260d9f419260
·sjplimp on Oct 30 2015, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7…
354e20f43157
·sjplimp on Oct 30 2015, 21:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14215 f3b2605a-c512-4ea7…
628190cbcb86
·sjplimp on Oct 30 2015, 15:52.
add neighmask and use memset to efficiently zero out arrays.
8bc29e1ff44a
·Axel Kohlmeyer on Oct 30 2015, 01:55.

Oct 29 2015

some more cleanups for USER-SMTBQ
313fed7fafee
·Axel Kohlmeyer on Oct 29 2015, 23:13.
allocate space for terminating null-byte for strings
15cf7f085a5a
·Axel Kohlmeyer on Oct 29 2015, 22:45.

Oct 28 2015

initialize variables to silence some distracting warnings
8ba4c88c8d79
·Axel Kohlmeyer on Oct 28 2015, 22:19.

Oct 27 2015

remove inconsistent macros construct and some unused variables
13b229cc239e
·Axel Kohlmeyer on Oct 27 2015, 19:28.
correct bug in cleanup script and update permissions accordingly
3bbba19e854a
·Axel Kohlmeyer on Oct 27 2015, 12:07.
remove unused header file
476bb5699d76
·Axel Kohlmeyer on Oct 27 2015, 04:35.
use #include <...> for C++ system header
39a6bcfaddd8
·Axel Kohlmeyer on Oct 27 2015, 04:32.
remove executable flag from makefiles
f634a5e14053
·Axel Kohlmeyer on Oct 27 2015, 03:41.

Oct 26 2015

plug memory leak from unneeded copy of string.
b54bccf89676
·Axel Kohlmeyer on Oct 26 2015, 21:47.
need to explicitly include time.h. linux has it implicitly, but windows…
c7a132096f3b
·Axel Kohlmeyer on Oct 26 2015, 21:31.

Oct 25 2015

add missing timeout re-init during "every" runs
20b9fec39b51
·Axel Kohlmeyer on Oct 25 2015, 23:14.
using run_style respa with run pre no segfaults
0e2132e1f6e3
·Axel Kohlmeyer on Oct 25 2015, 22:27.
consolidate setup output and timer timeout message
a5d5791be781
·Axel Kohlmeyer on Oct 25 2015, 22:27.
consolidate minimizer stop condition constants into min.h header and support…
dfa33f258a07
·Axel Kohlmeyer on Oct 25 2015, 17:10.
do remaining timelimit output formatting locally
693b8d7bc219
·Axel Kohlmeyer on Oct 25 2015, 16:06.
consolidate timeout initialization into run/minimize commands
704936880c53
·Axel Kohlmeyer on Oct 25 2015, 16:06.
print remaining walltime with 1/100th of a second resolution
43b64d276e67
·Axel Kohlmeyer on Oct 25 2015, 15:52.
make timeout implementation more consistent
18bd33924c56
·Axel Kohlmeyer on Oct 25 2015, 03:39.
reimplement wallclock timeout in timer class instead of update.
9be09f5ddf3a
·Axel Kohlmeyer on Oct 25 2015, 03:15.

Oct 24 2015

fix permissions for source files
9c8fb961dcba
·Axel Kohlmeyer on Oct 24 2015, 23:57.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
55954dac5c95
·Axel Kohlmeyer on Oct 24 2015, 12:50.
undo timelimit code in minimizers
09aa1365cca6
·Axel Kohlmeyer on Oct 24 2015, 07:01.
make sure we return 0.0 in case no scalar compute condition is met
9333dc81477f
·Axel Kohlmeyer on Oct 24 2015, 01:21.
remove dead code
ecefd4597e95
·Axel Kohlmeyer on Oct 24 2015, 01:15.
fix typo
5f2701e4b5ca
·Axel Kohlmeyer on Oct 24 2015, 01:15.
whitespace and indentation cleanup
b421c1bc599d
·Axel Kohlmeyer on Oct 24 2015, 00:38.
cleanup of USER-SMTBQ package. broken in parallel run.
7edf1599ae55
·Axel Kohlmeyer on Oct 24 2015, 00:10.

Oct 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14207 f3b2605a-c512-4ea7…
0035a690d15b
·sjplimp on Oct 23 2015, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14200 f3b2605a-c512-4ea7…
ff974eb07779
·sjplimp on Oct 23 2015, 19:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14197 f3b2605a-c512-4ea7…
08157510b702
·sjplimp on Oct 23 2015, 19:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14196 f3b2605a-c512-4ea7…
e53f61a8691b
·sjplimp on Oct 23 2015, 16:53.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
07554c8efe48
·Axel Kohlmeyer on Oct 23 2015, 13:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14191 f3b2605a-c512-4ea7…
021a327e851a
·sjplimp on Oct 23 2015, 02:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7…
9057c423506f
·sjplimp on Oct 23 2015, 02:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14180 f3b2605a-c512-4ea7…
b45a8bb7e3d9
·sjplimp on Oct 23 2015, 02:04.
Merge branch 'merge_oct23_2015' into lammps-icms
f0d30951267c
·Axel Kohlmeyer on Oct 23 2015, 01:55.
anticipate the upcoming 23 oct 2015 patch
09187ebabdf1
·Axel Kohlmeyer on Oct 23 2015, 01:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14176 f3b2605a-c512-4ea7…
9cf48b934967
·sjplimp on Oct 23 2015, 01:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14175 f3b2605a-c512-4ea7…
d815b390baf1
·sjplimp on Oct 23 2015, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7…
cfbe572aa5a7
·sjplimp on Oct 23 2015, 01:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14172 f3b2605a-c512-4ea7…
0eb2e8f9cb98
·sjplimp on Oct 23 2015, 00:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14166 f3b2605a-c512-4ea7…
0068c45c803d
·sjplimp on Oct 23 2015, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7…
cee848f94865
·sjplimp on Oct 23 2015, 00:06.

Oct 22 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14163 f3b2605a-c512-4ea7…
b229c719d0d3
·sjplimp on Oct 22 2015, 23:48.
Small tweak for compatibility with different versions of lscpu
1eeeb028f914
·stamoor on Oct 22 2015, 21:05.
remove double bugfix
ec72e316c165
·Axel Kohlmeyer on Oct 22 2015, 16:58.
remove obsolete code that has been replaced/renamed by steve
be8c761243c0
·Axel Kohlmeyer on Oct 22 2015, 16:58.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
823cc16bdf78
·Axel Kohlmeyer on Oct 22 2015, 14:17.
Fixed problem with box flips under NVT
066e7598c9b6
·athomps on Oct 22 2015, 01:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14158 f3b2605a-c512-4ea7…
e512ca27a7e6
·sjplimp on Oct 22 2015, 01:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14157 f3b2605a-c512-4ea7…
46e7b6417603
·sjplimp on Oct 22 2015, 01:13.

Oct 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14156 f3b2605a-c512-4ea7…
4ce32a301c7d
·sjplimp on Oct 21 2015, 23:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14155 f3b2605a-c512-4ea7…
bc1cf9965e75
·sjplimp on Oct 21 2015, 23:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14152 f3b2605a-c512-4ea7…
a2604e221e48
·sjplimp on Oct 21 2015, 23:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14151 f3b2605a-c512-4ea7…
5775cf2f9355
·sjplimp on Oct 21 2015, 23:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14148 f3b2605a-c512-4ea7…
50733f2482ae
·sjplimp on Oct 21 2015, 22:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14147 f3b2605a-c512-4ea7…
3830813864c4
·sjplimp on Oct 21 2015, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14144 f3b2605a-c512-4ea7…
87ae4919a958
·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14143 f3b2605a-c512-4ea7…
1953fd7feea0
·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14142 f3b2605a-c512-4ea7…
7163eaf6005f
·sjplimp on Oct 21 2015, 21:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7…
8a10c55a3b2c
·sjplimp on Oct 21 2015, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14138 f3b2605a-c512-4ea7…
abe4c06219b8
·sjplimp on Oct 21 2015, 21:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14135 f3b2605a-c512-4ea7…
b036260091bd
·sjplimp on Oct 21 2015, 21:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14134 f3b2605a-c512-4ea7…
d145ae099ed8
·sjplimp on Oct 21 2015, 21:27.

lammps/srclammm-masterb0ffa46a3bb994e3fe0c157…

Nov 16 2015

Nov 15 2015

Nov 13 2015

Nov 12 2015

Nov 11 2015

Nov 10 2015

Nov 9 2015

Nov 7 2015

Nov 5 2015

Nov 4 2015

Oct 31 2015

Oct 30 2015

Oct 29 2015

Oct 28 2015

Oct 27 2015

Oct 26 2015

Oct 25 2015

Oct 24 2015

Oct 23 2015

Oct 22 2015

Oct 21 2015

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…