Diffusion lammps (master) History

History
master442fedb2a5fea5626bd54c5…

Aug 27 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
442fedb2a5fe
·Axel Kohlmeyer on Aug 27 2016, 16:34.
enforce C or POSIX locale in all shell scripts and turn of enforced global grep…
84d0bed33b56
·Axel Kohlmeyer on Aug 27 2016, 16:34.
add python script allowing steve to poll and process pending pull requests from…
485a86b4bb46
·Axel Kohlmeyer on Aug 27 2016, 07:45.
fix bugs in the automated python 3 compatibility conversion
b6a677ad7c08
·Axel Kohlmeyer on Aug 27 2016, 00:03.

Aug 26 2016

Added check for undefined hbonds
646d5bb1b9aa
·athomps on Aug 26 2016, 22:03.
Adding Kokkos warning
5348c1c70fe7
·stamoor on Aug 26 2016, 20:37.
update .gitignore for most recent changes
0092be084785
·Axel Kohlmeyer on Aug 26 2016, 20:31.
Adding Kokkos warning
56628fe2b643
·stamoor on Aug 26 2016, 20:17.
Cleaning up code
8a7fecbd9122
·stamoor on Aug 26 2016, 18:32.
Changing default
cc4b2dd6ede6
·stamoor on Aug 26 2016, 17:50.
Fixing Kokkos memory issue
33661364938f
·stamoor on Aug 26 2016, 17:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ccda0261e9b
·Axel Kohlmeyer on Aug 26 2016, 12:22.
address issues detected by coverity scan
1825f12c2931
·Axel Kohlmeyer on Aug 26 2016, 07:35.

Aug 25 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15501 f3b2605a-c512-4ea7…
b2470fd80dea
·sjplimp on Aug 25 2016, 19:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15500 f3b2605a-c512-4ea7…
484e726c78fa
·sjplimp on Aug 25 2016, 19:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15499 f3b2605a-c512-4ea7…
67958a8bfa19
·sjplimp on Aug 25 2016, 19:03.
Fixing compiler warning
bfb01b84e6a6
·stamoor on Aug 25 2016, 18:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15497 f3b2605a-c512-4ea7…
e96ac8eb5996
·sjplimp on Aug 25 2016, 18:55.
remove vector/array declarating in compute styles that shadow compute.h members
bcb85aed6c27
·Axel Kohlmeyer on Aug 25 2016, 13:03.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6571ee32dc09
·Axel Kohlmeyer on Aug 25 2016, 12:19.
Merge branch 'merge-pull-161' into lammps-icms
e9694ed4f160
·Axel Kohlmeyer on Aug 25 2016, 11:58.
Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge…
6a21d62c3ff9
·Axel Kohlmeyer on Aug 25 2016, 11:37.
find functions in atom.cpp checks for id/name being NULL
f7e741f34439
·Anders Hafreager on Aug 25 2016, 11:35.
Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge…
b76dc86f05d1
·Axel Kohlmeyer on Aug 25 2016, 11:33.
Fixed so we test for compute,fix and variable id's being NULL in find_ functions
12e1857e3046
·Anders Hafreager on Aug 25 2016, 10:57.
remove dependency on python-future module and avoid clashes with str()
99b93fa62c46
·Axel Kohlmeyer on Aug 25 2016, 06:09.
Merge branch 'update-doc-user-manifold' of https://github.
8fa75760e419
·Axel Kohlmeyer on Aug 25 2016, 05:33.
fix typo in compute omega/chunk usage example
c71ffcfcc0e6
·Axel Kohlmeyer on Aug 25 2016, 05:30.
fix bug in reserving sufficient space for special atoms
224c43709519
·Axel Kohlmeyer on Aug 25 2016, 05:30.
silence warnings about order of pointers in the initializer
d71565b77bb3
·Axel Kohlmeyer on Aug 25 2016, 05:28.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
4b0bef97187c
·Axel Kohlmeyer on Aug 25 2016, 05:18.
Merge branch 'merge-pull-158' into lammps-icms
24ba7a646ab1
·Axel Kohlmeyer on Aug 25 2016, 05:16.
fix memory leak in compute omega/chunk
e8d034250370
·Axel Kohlmeyer on Aug 25 2016, 05:12.
Merge branch 'merge-pull-140' into lammps-icms
998fa338f1cb
·Axel Kohlmeyer on Aug 25 2016, 00:15.

Aug 24 2016

simplify fix bond/create code a little more
be732e60989f
·Axel Kohlmeyer on Aug 24 2016, 23:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15496 f3b2605a-c512-4ea7…
29d04c1fbbf7
·sjplimp on Aug 24 2016, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15495 f3b2605a-c512-4ea7…
a411023a7566
·sjplimp on Aug 24 2016, 22:25.
merged, small bugs fixed
c3ddb9eae91c
·aaramoon on Aug 24 2016, 17:07.
Fixed initialization of arrays in computes
5d993cfe7438
·Anders Hafreager on Aug 24 2016, 17:06.
Fixed initialization of arrays in computes
4e27bb8fdbb4
·Anders Hafreager on Aug 24 2016, 16:50.
Merge branch 'akohlmey-merge-pull-140' into fix_bond_create_update
0d79f840acf2
·aaramoon on Aug 24 2016, 16:48.
Merge branch 'merge-pull-140' of https://github.com/akohlmey/lammps into…
ceb4ba09196e
·aaramoon on Aug 24 2016, 16:44.
Fixed initialization of arrays in computes
5392cfa2d92f
·Anders Hafreager on Aug 24 2016, 16:38.
Fixed initialization of arrays in computes
6bdbb21eb7b7
·Anders Hafreager on Aug 24 2016, 16:24.
Fixed initialization of arrays in computes
8c674019a5b8
·Anders Hafreager on Aug 24 2016, 16:16.
Fixed initialization of arrays in computes
0ef26d0ca003
·Anders Hafreager on Aug 24 2016, 16:06.
Fixed initialization of arrays in computes
3830b3c810c1
·Anders Hafreager on Aug 24 2016, 16:03.
Fixed initialization of arrays in computes
a57436037257
·Anders Hafreager on Aug 24 2016, 15:57.
memory leak fixed
958293f640a4
·aaramoon on Aug 24 2016, 15:19.
Small update for USER-MANIFOLD docs.
d188bdbd8610
·Stefan Paquay on Aug 24 2016, 15:03.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
57fb84393a7a
·Axel Kohlmeyer on Aug 24 2016, 13:49.
significant refactoring of argument parsing and checking in fix bond/create
93b8d00a5946
·Axel Kohlmeyer on Aug 24 2016, 02:24.
Merge pull request #1 from akohlmey/merge-pull-140
6621d0239b12
·aminaramoon / GitHub on Aug 24 2016, 02:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7…
647ffab74fc7
·sjplimp on Aug 24 2016, 00:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15492 f3b2605a-c512-4ea7…
662335db13fd
·sjplimp on Aug 24 2016, 00:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15491 f3b2605a-c512-4ea7…
1e1f68c30d4b
·sjplimp on Aug 24 2016, 00:41.
remove xxxdynflag. we will check on pointers being valid instead.
8465b417f6b9
·Axel Kohlmeyer on Aug 24 2016, 00:33.
refactoring of TypeDetector class
f4a89d56fcf9
·Axel Kohlmeyer on Aug 24 2016, 00:32.
add new test stringstyle() for identify variable styles that return stored…
bc0864e2d3be
·Axel Kohlmeyer on Aug 24 2016, 00:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15490 f3b2605a-c512-4ea7…
7646321bfb74
·sjplimp on Aug 24 2016, 00:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7…
7bf1d9b40fe1
·sjplimp on Aug 24 2016, 00:17.

Aug 23 2016

various small cleanup steps to dynamic type selection for…
bddb31ea43d0
·Axel Kohlmeyer on Aug 23 2016, 22:29.
Merge branch 'fix_bond_create_update' of https://github.com/aminaramoon/lammps…
62eeed768bde
·Axel Kohlmeyer on Aug 23 2016, 21:47.
memory leak resolved
49597fa96025
·aaramoon on Aug 23 2016, 21:32.
silence compiler warning
bd258d676807
·Axel Kohlmeyer on Aug 23 2016, 21:28.
Merge branch 'merge-pull-153' into lammps-icms
75929ee01b7c
·Axel Kohlmeyer on Aug 23 2016, 19:24.
correct include files format and add missing string.h
9f1759481b3c
·Axel Kohlmeyer on Aug 23 2016, 19:24.
Merge branch 'add-fix-gaussFlow' of https://github.com/sstrong99/lammps into…
d08e79702603
·Axel Kohlmeyer on Aug 23 2016, 19:18.
revised fix_flow_gauss
c1a6d2ec30dc
·Steven Strong on Aug 23 2016, 18:23.
revised fix_flow_gauss
6c927a419da4
·Steven Strong on Aug 23 2016, 18:11.
revised fix_flow_gauss
690158939564
·Steven Strong on Aug 23 2016, 18:10.
Fixing Kokkos output for number of OpenMP threads
d007faca515f
·stamoor on Aug 23 2016, 18:07.
revised fix_flow_gauss
36bc96ea6112
·Steven Strong on Aug 23 2016, 17:54.
revised fix_flow_gauss
5a5a10c75ff5
·Steven Strong on Aug 23 2016, 17:46.
Fixing bug on Macs
89fc866ba7a4
·stamoor on Aug 23 2016, 17:45.
revised fix_flow_gauss
06996d7782d9
·Steven Strong on Aug 23 2016, 17:38.
revised fix_flow_gauss
2e7404c96c42
·Steven Strong on Aug 23 2016, 17:38.
revised fix_flow_gauss
3309e9d3baf9
·Steven Strong on Aug 23 2016, 17:33.
doc revisited
5798ba9e57e1
·aaramoon on Aug 23 2016, 16:59.
enum added in type detector
a2e882daa290
·aaramoon on Aug 23 2016, 16:52.
correction made
d1ba974fa8ee
·aaramoon on Aug 23 2016, 16:50.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c90f3a800fba
·Axel Kohlmeyer on Aug 23 2016, 13:19.
update colvars library to version 2016-08-19
c67326be6d93
·Axel Kohlmeyer on Aug 23 2016, 11:53.
minor cleanup and compiler warning silencing
29ae1bbca86a
·Axel Kohlmeyer on Aug 23 2016, 04:35.
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into…
bbf1dcd9db24
·Axel Kohlmeyer on Aug 23 2016, 04:23.
fixed integer division problem in python code snippet
55fe1f6b29cc
·athomps on Aug 23 2016, 00:35.

Aug 22 2016

Added fix_gaussflow
95755ba8b2e9
·Steven Strong on Aug 22 2016, 23:47.
restore accidentally deleted error message.
f83f88d736d7
·Axel Kohlmeyer on Aug 22 2016, 22:28.
Removed if tests in destructor. Also NULLing pointers in destructors
68c4a8c2f1cf
·Anders Hafreager on Aug 22 2016, 12:42.
Initialize pointers to zero before anything else in fix_ave_chunk.cpp
ae2bfec83d97
·Anders Hafreager on Aug 22 2016, 10:13.

Aug 21 2016

correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc…
45a2dd36d0f0
·Axel Kohlmeyer on Aug 21 2016, 17:18.
fix bug in recent dump changes for -DLAMMPS_BIGBIG
a50793687861
·Axel Kohlmeyer on Aug 21 2016, 17:17.
Merge branch 'valgrind_errors' of https://github.com/rbberger/lammps into merge…
2dd61ffedae2
·Axel Kohlmeyer on Aug 21 2016, 17:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ebbed707c6cf
·Axel Kohlmeyer on Aug 21 2016, 17:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15484 f3b2605a-c512-4ea7…
2fff78a78eb2
·sjplimp on Aug 21 2016, 00:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7…
d4891754c862
·sjplimp on Aug 21 2016, 00:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15482 f3b2605a-c512-4ea7…
ccf8cf20b378
·sjplimp on Aug 21 2016, 00:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7…
6ccf4b452592
·sjplimp on Aug 21 2016, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7…
bfba361f65f2
·sjplimp on Aug 21 2016, 00:22.

Aug 17 2016

fix_bond_create_updated
180776e4f702
·aaramoon on Aug 17 2016, 16:12.

Historymaster442fedb2a5fea5626bd54c5…

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Aug 17 2016

History
master442fedb2a5fea5626bd54c5…