Diffusion lammps (lammm-master-deprecated) History

History
lammm-master-deprecated0569c3880975a08bab8fb71…

Sep 6 2016

Merge branch 'merge-pull-170' into lammps-icms
0569c3880975
·Axel Kohlmeyer on Sep 6 2016, 22:52.
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge…
9625b99ba7a0
·Axel Kohlmeyer on Sep 6 2016, 22:12.
Made documentation and code of last commit more legible
1ce11d2227f0
·Efrem Braun on Sep 6 2016, 21:23.
Merge branch 'merge-pull-169' into lammps-icms
fb6c2b60f942
·Axel Kohlmeyer on Sep 6 2016, 02:38.
Merge branch 'correct_2af907a' of https://github.com/timattox/lammps_USER-DPD…
56b5cd48da29
·Axel Kohlmeyer on Sep 6 2016, 02:38.
update colvars library to version 2016-09-03
4181f5ac9d72
·Axel Kohlmeyer on Sep 6 2016, 02:37.

Sep 5 2016

added in option to compute_bond_local to calculate bond velocities and kinetic…
245c70e91686
·Efrem Braun on Sep 5 2016, 23:42.
Fix a bug introduced in commit 2af907a. Thanks to efremdan1 for finding it.
76e063887acf
·Tim Mattox on Sep 5 2016, 23:27.

Sep 3 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
83986c9d1aec
·Axel Kohlmeyer on Sep 3 2016, 13:19.
Fixing bugs in per-atom
fc80281fd990
·stamoor on Sep 3 2016, 00:45.

Sep 2 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
222e9de4c889
·Axel Kohlmeyer on Sep 2 2016, 15:02.

Sep 1 2016

Adding Kokkos version of PPPM
519a3ee242d4
·stamoor on Sep 1 2016, 23:45.
Adding Kokkos version of PPPM
a4914bc9d80d
·stamoor on Sep 1 2016, 23:01.
Adding Kokkos version of PPPM
b4785cd03877
·stamoor on Sep 1 2016, 22:53.
simplify phonon code some more
1c54dc77ea6c
·Axel Kohlmeyer on Sep 1 2016, 12:46.
simplify code
35759133792a
·Axel Kohlmeyer on Sep 1 2016, 12:40.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
214494477854
·Axel Kohlmeyer on Sep 1 2016, 12:24.
chunk doc pages
3769f9077f4a
·sjplimp on Sep 1 2016, 03:58.
removing searchindex.js
159d722cc2e7
·sjplimp on Sep 1 2016, 03:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15532 f3b2605a-c512-4ea7…
f94bbc0de05e
·sjplimp on Sep 1 2016, 00:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15531 f3b2605a-c512-4ea7…
fab2f01a5844
·sjplimp on Sep 1 2016, 00:20.

Aug 31 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15530 f3b2605a-c512-4ea7…
ae458497bfd3
·sjplimp on Aug 31 2016, 23:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15529 f3b2605a-c512-4ea7…
bcb2e6dd380c
·sjplimp on Aug 31 2016, 23:10.
sync with Git
93c6c26b8396
·sjplimp on Aug 31 2016, 23:08.
small bug fixes
083ff54c0c51
·sjplimp on Aug 31 2016, 22:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15526 f3b2605a-c512-4ea7…
e3d0a322729e
·sjplimp on Aug 31 2016, 22:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15525 f3b2605a-c512-4ea7…
8f6439843d6b
·sjplimp on Aug 31 2016, 21:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15524 f3b2605a-c512-4ea7…
9d8027c90008
·sjplimp on Aug 31 2016, 21:25.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a236af80eab5
·Axel Kohlmeyer on Aug 31 2016, 12:33.
restore pointer NULLifying for fix balance
35c23a19612c
·Axel Kohlmeyer on Aug 31 2016, 12:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ccb3c31b0e2a
·Axel Kohlmeyer on Aug 31 2016, 12:32.
Fixing Kokkos memory issue
76acb8caf15f
·stamoor on Aug 31 2016, 01:18.

Aug 30 2016

change angular velocity computation for groups/chunks to handle (near) zero…
2af907a10d94
·Axel Kohlmeyer on Aug 30 2016, 22:47.
fix typo in comments
7875009218a7
·Axel Kohlmeyer on Aug 30 2016, 22:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15522 f3b2605a-c512-4ea7…
ba444a4c6bff
·sjplimp on Aug 30 2016, 21:33.
Removing aggressive_vectorization flag due to safety issue
dbaaf4dbbdb6
·stamoor on Aug 30 2016, 19:52.
adjust makefiles in lib tree, so they don't return an error exit code on "make…
4117218ca3f5
·Axel Kohlmeyer on Aug 30 2016, 17:40.
Merge branch 'merge-pull-166' into lammps-icms
617e88162625
·Axel Kohlmeyer on Aug 30 2016, 13:08.
must not initialize base class members
fd3da81ee60c
·Axel Kohlmeyer on Aug 30 2016, 13:07.
avoid NaNs in MEAM
ae31f9f4edd7
·Axel Kohlmeyer on Aug 30 2016, 12:56.
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge…
4dcd24d86741
·Axel Kohlmeyer on Aug 30 2016, 12:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c89cdb1adc4a
·Axel Kohlmeyer on Aug 30 2016, 12:24.
sync with Git
958e3e6a80e7
·sjplimp on Aug 30 2016, 01:49.
sync with Git
2993aec312a7
·sjplimp on Aug 30 2016, 00:52.

Aug 29 2016

Use MPI_Allreduce values instead of each processor's values
f30232b41ed2
·Efrem Braun on Aug 29 2016, 18:59.
Merge branch 'merge-pull-163' into lammps-icms
c2508b456747
·Axel Kohlmeyer on Aug 29 2016, 04:28.
use correct order when initializing arrays
dec122780c76
·Axel Kohlmeyer on Aug 29 2016, 04:21.
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into…
bb234349ec86
·Axel Kohlmeyer on Aug 29 2016, 04:16.

Aug 28 2016

Needed to add some ugly hack in order to handle non-ASCII characters in both…
6a199236de91
·Axel Kohlmeyer on Aug 28 2016, 22:49.
fix off-by one bug when looking for bonds.
24392261e37f
·Axel Kohlmeyer on Aug 28 2016, 20:21.
add more comments, use correct PR submitter, some cleanup
afd94e2d3bcb
·Axel Kohlmeyer on Aug 28 2016, 12:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
dd3b0bfffd0e
·Axel Kohlmeyer on Aug 28 2016, 12:42.
apply utf-8 encoding to json data received from github. some comments.
9a05bdd795b2
·Axel Kohlmeyer on Aug 28 2016, 05:30.
made the detection of pull request assignees more robust
6bc46748788f
·Axel Kohlmeyer on Aug 28 2016, 05:11.
Merge branch 'merge-pull-150' into lammps-icms
58fc3e994c66
·Axel Kohlmeyer on Aug 28 2016, 05:07.
Update documentation for tabulation in vashista pair style
39cec5cc191e
·Axel Kohlmeyer on Aug 28 2016, 05:01.
optimize twobody term by passing a const reference instead of a pointer
4a7d389f42a4
·Axel Kohlmeyer on Aug 28 2016, 04:52.
updated and slightly refactored tabulation for vashishta pair style
3ca518703c83
·Axel Kohlmeyer on Aug 28 2016, 04:36.
Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into…
67ded259f270
·Axel Kohlmeyer on Aug 28 2016, 02:48.
sync with Git
236241b10085
·sjplimp on Aug 28 2016, 01:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15517 f3b2605a-c512-4ea7…
a62bae7d33d0
·sjplimp on Aug 28 2016, 01:07.
updated USER-MANIFOLD doc pages
57b24b566867
·sjplimp on Aug 28 2016, 01:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15514 f3b2605a-c512-4ea7…
fc4e63130cf8
·sjplimp on Aug 28 2016, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15513 f3b2605a-c512-4ea7…
0ec104088fe6
·sjplimp on Aug 28 2016, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15511 f3b2605a-c512-4ea7…
4f49acf90303
·sjplimp on Aug 28 2016, 00:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15510 f3b2605a-c512-4ea7…
571489062727
·sjplimp on Aug 28 2016, 00:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15509 f3b2605a-c512-4ea7…
18d05e04a206
·sjplimp on Aug 28 2016, 00:37.
new fix flow/gauss command
90e6032f973d
·sjplimp on Aug 28 2016, 00:18.

Aug 27 2016

small cleanup and generalization of fix flow/gauss
e017b3389839
·Axel Kohlmeyer on Aug 27 2016, 23:32.
change default to verbose for pending-pulls.py script
de3e324f7e40
·Axel Kohlmeyer on Aug 27 2016, 23:09.
ignore byte compiled python files
79de549da521
·Axel Kohlmeyer on Aug 27 2016, 16:37.
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.
Fixed initialization of arrays in computes/fixes in MC package
90d22706cccd
·Anders Hafreager on Aug 25 2016, 16:15.
Fixed initialization of arrays in computes/fixes in MANYBODY package
97901d0f7a94
·Anders Hafreager on Aug 25 2016, 15:42.
Fixed initialization of arrays in fixes
a29f660f0bab
·Anders Hafreager on Aug 25 2016, 15:37.
Fixed initialization of arrays in fixes
38ae93fe9386
·Anders Hafreager on Aug 25 2016, 15:33.
Fixed initialization of arrays in fixes
d11b1ed6c343
·Anders Hafreager on Aug 25 2016, 15:27.
Fixed initialization of arrays in fixes
2bd020290ee4
·Anders Hafreager on Aug 25 2016, 15:25.
Fixed initialization of arrays in fixes
5784ea3b5169
·Anders Hafreager on Aug 25 2016, 15:20.
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.
Fixed initialization of arrays in fixes
fbccad3ebc08
·Anders Hafreager on Aug 25 2016, 11:53.