Diffusion lammps (master) History

History
master59efd6cb7812ad17a2db21d…

Aug 17 2015

some more processors and load balancing inputs
59efd6cb7812
·Axel Kohlmeyer on Aug 17 2015, 00:21.
add some commands for communication and load balancing
75efe7da4593
·Axel Kohlmeyer on Aug 17 2015, 00:08.

Aug 16 2015

make info output more consistent and add comm info
66e9f9213034
·Axel Kohlmeyer on Aug 16 2015, 20:55.
add communication output to info command
752ef5d90a56
·Axel Kohlmeyer on Aug 16 2015, 19:00.
add MPI version and level query. correct processor name API C bindings.
eaf74e943fc9
·Axel Kohlmeyer on Aug 16 2015, 18:56.
return 0.0 when querying elapsed time with timers off
1c467528a4f5
·Axel Kohlmeyer on Aug 16 2015, 16:42.
add some packages with libraries and e-mail notifications
11abae4936fd
·Axel Kohlmeyer on Aug 16 2015, 05:47.
add the python package to the mix
c04f171a06c1
·Axel Kohlmeyer on Aug 16 2015, 05:07.
revert to older syntax for .travis.yml
e3ba8d9f322c
·Axel Kohlmeyer on Aug 16 2015, 04:18.
overlooked one tagint to int pointer assignment.
221557d3a9fc
·Axel Kohlmeyer on Aug 16 2015, 04:05.
reorganize .travis.yml based on suggestions from richard berger
ce94b1d2f8c2
·Axel Kohlmeyer on Aug 16 2015, 03:59.
handle correct compilation problem for 64-bit tags in USER-SMD
3ea04204dc4f
·Axel Kohlmeyer on Aug 16 2015, 03:45.
use zlib.h header instead of a (less portable) forward declaration.
60cdd56380ac
·Axel Kohlmeyer on Aug 16 2015, 03:45.

Aug 15 2015

take out C++11 compilation test and add a few more packages
5ade844f1dee
·Axel Kohlmeyer on Aug 15 2015, 19:21.
add setting to check for basic C++11 compatibility
548167c321ec
·Axel Kohlmeyer on Aug 15 2015, 18:55.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
650bc50f5ce9
·Axel Kohlmeyer on Aug 15 2015, 12:53.
fix typo
2a9c607da1df
·Axel Kohlmeyer on Aug 15 2015, 04:46.
add proper handling of tags
ffa9ec2c0ab7
·Axel Kohlmeyer on Aug 15 2015, 04:36.
add some more variants using various 64-bit integer settings
6fae115f3a08
·Axel Kohlmeyer on Aug 15 2015, 04:17.
another attempt to resolve the build problems due to missing environment
73de8e9cceab
·Axel Kohlmeyer on Aug 15 2015, 03:00.
update .travis.yml to resolve build problems
b683f409de4b
·Axel Kohlmeyer on Aug 15 2015, 02:44.
Merge branch 'bugfixes/memory_corruption_and_invalid_reads' of git://github.
b45d4d087336
·Axel Kohlmeyer on Aug 15 2015, 02:32.
ignore potential vagrant settings/status tree
d4acd12cf2f6
·Axel Kohlmeyer on Aug 15 2015, 02:23.
update Travis-CI integration script
315e0ab8d177
·Axel Kohlmeyer on Aug 15 2015, 02:21.
basic integration of Travis-CI for build testing
2319e569b5a5
·Axel Kohlmeyer on Aug 15 2015, 00:27.

Aug 14 2015

remove useless neighbor list output from info command.
4bba2484099c
·Axel Kohlmeyer on Aug 14 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13888 f3b2605a-c512-4ea7…
21dd53e50d47
·sjplimp on Aug 14 2015, 21:09.
''
2395d650df29
·sjplimp on Aug 14 2015, 21:07.
''
6663800ad9b2
·sjplimp on Aug 14 2015, 21:07.
Avoid access outside of array bounds
bce38482786e
·Richard Berger on Aug 14 2015, 20:51.
Fixes out-of-bounds accesses
8a1bc1088a8d
·Richard Berger on Aug 14 2015, 20:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7…
24bf97204bbf
·sjplimp on Aug 14 2015, 16:56.
colvars update 2015-08-12
55c32a2e06bb
·Axel Kohlmeyer on Aug 14 2015, 15:28.
output binning parameters in neighbor list summary
0982c06bf52a
·Axel Kohlmeyer on Aug 14 2015, 15:27.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4f567e42cb80
·Axel Kohlmeyer on Aug 14 2015, 13:19.

Aug 13 2015

''
36315f3a96a7
·sjplimp on Aug 13 2015, 16:52.
''
be9306813af4
·sjplimp on Aug 13 2015, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13868 f3b2605a-c512-4ea7…
fe2ce45acf5e
·sjplimp on Aug 13 2015, 16:52.
more r-RESPA tests
1578e05167fe
·Axel Kohlmeyer on Aug 13 2015, 14:25.
delete files that have been moved to the COMPRESS package
ccaf2568a852
·Axel Kohlmeyer on Aug 13 2015, 14:24.
make for serial compile with clang++
3e8d242d10e6
·Axel Kohlmeyer on Aug 13 2015, 14:24.
add custom build fedora laptop
89df652bdaa6
·Axel Kohlmeyer on Aug 13 2015, 14:22.
correct PACKLIB list to contain all packages that cannot be built against STUBS
f213cccfb760
·Axel Kohlmeyer on Aug 13 2015, 14:19.
update Travis-CI support to do a more complete serial build
02b22e490fee
·Axel Kohlmeyer on Aug 13 2015, 14:18.
Incorporate basic support for Travis Ci into LAMMPS-ICMS Feature contributed by…
9de81593e64d
·Axel Kohlmeyer on Aug 13 2015, 13:32.
Merge branch 'lammps-icms' of git://github.com/junghans/lammps into merge…
a31d6bd7e16d
·Axel Kohlmeyer on Aug 13 2015, 13:30.

Aug 12 2015

update documentation for dump via COMPRESS and USER-H5MD
5079a7f4328c
·Axel Kohlmeyer on Aug 12 2015, 16:06.
convery library compression styles into "COMPRESS" package
83f21d479ce3
·Axel Kohlmeyer on Aug 12 2015, 14:08.

Aug 11 2015

add compute heat/flux/tally version from loris ercole (@SISSA)
96e92899cceb
·Axel Kohlmeyer on Aug 11 2015, 17:26.
add missing documentation updates for GPU package
e05656f94713
·Axel Kohlmeyer on Aug 11 2015, 16:41.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c020fba2a153
·Axel Kohlmeyer on Aug 11 2015, 16:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
68c691f4015e
·Axel Kohlmeyer on Aug 11 2015, 04:33.
''
e4907d75883b
·sjplimp on Aug 11 2015, 02:08.
''
1a53c31ed26d
·sjplimp on Aug 11 2015, 02:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13863 f3b2605a-c512-4ea7…
ee8892a2dcd5
·sjplimp on Aug 11 2015, 01:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13862 f3b2605a-c512-4ea7…
8cc111e8d32f
·sjplimp on Aug 11 2015, 01:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13861 f3b2605a-c512-4ea7…
5f76611ecf24
·sjplimp on Aug 11 2015, 01:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13860 f3b2605a-c512-4ea7…
76cfa6572594
·sjplimp on Aug 11 2015, 01:48.
''
2df93f076644
·sjplimp on Aug 11 2015, 01:47.
''
6e2fad3628ef
·sjplimp on Aug 11 2015, 01:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13857 f3b2605a-c512-4ea7…
168a28303962
·sjplimp on Aug 11 2015, 01:47.

Aug 10 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13856 f3b2605a-c512-4ea7…
4731f7e94a07
·sjplimp on Aug 10 2015, 22:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13855 f3b2605a-c512-4ea7…
23a8240bfed8
·sjplimp on Aug 10 2015, 22:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13854 f3b2605a-c512-4ea7…
f2276c9d9f81
·sjplimp on Aug 10 2015, 22:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13853 f3b2605a-c512-4ea7…
a9c64a1f9756
·sjplimp on Aug 10 2015, 22:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13852 f3b2605a-c512-4ea7…
00833cd21395
·sjplimp on Aug 10 2015, 22:15.
Fixed molecule mass when gcmc offset applied
4b03a29c04e5
·athomps on Aug 10 2015, 04:57.

Aug 9 2015

must not have "using namespace" in header files
68894871844e
·Axel Kohlmeyer on Aug 9 2015, 19:06.

Aug 8 2015

added dump cfg/gz to the mix
d42409e9b1ed
·Axel Kohlmeyer on Aug 8 2015, 01:37.
add dump styles atom/gz, custom/gz, and xyz/gz using zlib
11f77056a45e
·Axel Kohlmeyer on Aug 8 2015, 01:26.
add code to make it compatible with derived classes holding a custom file…
79cf211c36aa
·Axel Kohlmeyer on Aug 8 2015, 01:25.
fully zlib compatible linker flags
f8b4602f17b9
·Axel Kohlmeyer on Aug 8 2015, 01:24.

Aug 7 2015

fix typo in MPIIO header multiple inclusion guard.
460312f13cb0
·Axel Kohlmeyer on Aug 7 2015, 23:45.
added .travis.yml
1b04a6d1941d
·Christoph Junghans on Aug 7 2015, 17:45.
include stripped down copy of Eigen3 for USER-SMD
23b6b284ced2
·Axel Kohlmeyer on Aug 7 2015, 06:37.
clean up include files and installation script for USER-SMD
ebe0635bf63b
·Axel Kohlmeyer on Aug 7 2015, 06:34.

Aug 6 2015

replace custom data type "real" with standard type "double" to remove namespace…
58a712d3d4fc
·Axel Kohlmeyer on Aug 6 2015, 20:39.
modifications to USER-SMD to reduce namespace pollution.
3276ae3b0a27
·Axel Kohlmeyer on Aug 6 2015, 19:51.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
4fef3cd9f018
·Axel Kohlmeyer on Aug 6 2015, 06:57.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
51072805199b
·Axel Kohlmeyer on Aug 6 2015, 06:51.

Aug 5 2015

''
08e9e3c93723
·sjplimp on Aug 5 2015, 15:09.
''
38cd445a2603
·sjplimp on Aug 5 2015, 15:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13843 f3b2605a-c512-4ea7…
e309f5f98d74
·sjplimp on Aug 5 2015, 02:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13841 f3b2605a-c512-4ea7…
901bb5d2dc55
·sjplimp on Aug 5 2015, 02:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13840 f3b2605a-c512-4ea7…
cefaee3342f5
·sjplimp on Aug 5 2015, 02:43.
''
b616d795109a
·sjplimp on Aug 5 2015, 02:29.
''
fbfd916c6998
·sjplimp on Aug 5 2015, 02:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13835 f3b2605a-c512-4ea7…
e5beeb163b7a
·sjplimp on Aug 5 2015, 02:26.

Aug 4 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13834 f3b2605a-c512-4ea7…
7e1de6da045e
·sjplimp on Aug 4 2015, 22:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7…
d7e358c35978
·sjplimp on Aug 4 2015, 22:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13832 f3b2605a-c512-4ea7…
318aefa19c70
·sjplimp on Aug 4 2015, 22:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13831 f3b2605a-c512-4ea7…
2f7344a02a6b
·sjplimp on Aug 4 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13830 f3b2605a-c512-4ea7…
365d1190a2ca
·sjplimp on Aug 4 2015, 21:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13827 f3b2605a-c512-4ea7…
810a13413b28
·sjplimp on Aug 4 2015, 21:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7…
b0dec93ffb44
·sjplimp on Aug 4 2015, 20:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7…
57ed47000346
·sjplimp on Aug 4 2015, 20:48.

Aug 3 2015

manually merged trivial change from lammps github repo from pull request #3
b1baef035448
·Axel Kohlmeyer on Aug 3 2015, 23:58.
integrate USER-H5MD package into package lists.
0b8605a69684
·Axel Kohlmeyer on Aug 3 2015, 23:21.
small adjustments to make USER-H5MD package integration cleaner
c91f33f5b4e5
·Axel Kohlmeyer on Aug 3 2015, 23:21.
clarify a few more things for integration of HDF5 support
dc55db069ceb
·Axel Kohlmeyer on Aug 3 2015, 23:20.

Historymaster59efd6cb7812ad17a2db21d…

Aug 17 2015

Aug 16 2015

Aug 15 2015

Aug 14 2015

Aug 13 2015

Aug 12 2015

Aug 11 2015

Aug 10 2015

Aug 9 2015

Aug 8 2015

Aug 7 2015

Aug 6 2015

Aug 5 2015

Aug 4 2015

Aug 3 2015

History
master59efd6cb7812ad17a2db21d…