Diffusion lammps (master) History

History
master43cfa10ea48df7323ce4c15…

Jun 8 2017

Reduce memory churn in pair_multi_lucy_rx_kokkos
43cfa10ea48d
·Stan Moore on Jun 8 2017, 17:58.
Reduce memory churn in fix_rx_kokkos
6f24c58c1a31
·Stan Moore on Jun 8 2017, 17:52.
Reduce memory churn in pair_table_rx_kokkos
611bb6f13035
·Stan Moore on Jun 8 2017, 17:31.

Apr 11 2017

Fix format issue in pair_exp6_rx_kokkos
ca4619e22791
·Stan Moore on Apr 11 2017, 17:14.
Removing more memory churn in pair_exp6_rx_kokkos
6c0b6918821a
·Stan Moore on Apr 11 2017, 17:12.
Reducing memory churn in pair_exp6_rx_kokkos
035d0a80d7bc
·Stan Moore on Apr 11 2017, 00:38.

Apr 6 2017

USER-DPD Kokkos: use a parallel_for() to build the ghosts workplan for SSA
178af2ec9e72
·Tim Mattox on Apr 6 2017, 09:53.
USER-DPD Kokkos: use a parallel_for() to build the locals workplan for SSA
9e272cb393fd
·Tim Mattox on Apr 6 2017, 08:31.

Apr 5 2017

Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_ssa_mem as of patch…
ad5481831fdc
·Tim Mattox on Apr 5 2017, 22:38.
Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks as of patch 31March17
456926a32195
·Tim Mattox on Apr 5 2017, 22:18.
Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17
bceaa5761426
·Tim Mattox on Apr 5 2017, 21:05.
Changing default gb/test to on
4d4b6f66b713
·Stan Moore on Apr 5 2017, 19:42.

Apr 4 2017

Reset atom map values from restart file
aedd7c57f3f7
·Stan Moore on Apr 4 2017, 00:42.

Apr 2 2017

USER-DPD Kokkos: #ifdef DEBUG_SSA_BUILD_LOCALS the new debug output
2b2f3bd57c1d
·Tim Mattox on Apr 2 2017, 06:07.
USER-DPD Kokkos: preflight storage needed for SSA threaded neigh list build
c4c3d490c7e0
·Tim Mattox on Apr 2 2017, 05:52.

Apr 1 2017

USER-DPD Kokkos: preflight SSA neigh list workplan to reduce allocated storage
e0021a3ff517
·Tim Mattox on Apr 1 2017, 20:41.
USER-DPD Kokkos: more WIP on preflighting SSA neighbor list build, with…
ac4c35ce8d1c
·Tim Mattox on Apr 1 2017, 19:45.
USER-DPD Kokkos: WIP on preflighting SSA neighbor list build, with debugging
ac64183ecfdd
·Tim Mattox on Apr 1 2017, 18:11.
fix memory leak in fix_shardlow_kokkos
6ba59cb4583c
·Dan Ibanez / Stan Moore on Apr 1 2017, 01:04.
fix memory leaks in pair_tabl_rx_kokkos
fe82926c1f41
·Dan Ibanez / Stan Moore on Apr 1 2017, 01:04.
Merge pull request #21 from ibaned/dpd-memleaks
697b0725524d
·Stan Moore / GitHub on Apr 1 2017, 00:43.
fix memory leak in fix_shardlow_kokkos
5edbd6392068
·Dan Ibanez on Apr 1 2017, 00:03.

Mar 31 2017

fix memory leaks in pair_tabl_rx_kokkos
bf4f0817d4f8
·Dan Ibanez on Mar 31 2017, 23:57.
Merge remote-tracking branch 'timattox/USER-DPD_GBhacks' into dpd-memleaks
085958f06575
·Dan Ibanez on Mar 31 2017, 23:02.

Mar 30 2017

patch 31Mar17 for stable release
ae56b9ad8915
·Steve Plimpton on Mar 30 2017, 18:07.
Merge pull request #440 from ohenrich/user-cgdna
4466d9fb4a47
·sjplimp / GitHub on Mar 30 2017, 17:34.

Mar 29 2017

Updated README
ac1aa9edea39
·Oliver Henrich on Mar 29 2017, 12:18.
Updated lammps.book and install script
c733204a700c
·Oliver Henrich on Mar 29 2017, 09:28.

Mar 28 2017

sync with SVN
4b9d0a956632
·Steve Plimpton on Mar 28 2017, 21:26.
patch 28Mar17
0637f2387518
·Steve Plimpton on Mar 28 2017, 21:12.
fix memory leak via NeighListKokkos::clean_copy()
b3d6d9f8cf3e
·Dan Ibanez / Stan Moore on Mar 28 2017, 21:01.
Merge pull request #20 from ibaned/dpd-memleaks
7041f75fcefa
·Stan Moore / GitHub on Mar 28 2017, 20:53.
Merge pull request #437 from ohenrich/user-cgdna
9f6e126a2f2e
·sjplimp / GitHub on Mar 28 2017, 20:52.
Merge pull request #436 from Pakketeretet2/better_incorrect_input_handling_nh
645f56cf7021
·sjplimp / GitHub on Mar 28 2017, 20:51.
Merge pull request #434 from akohlmey/imgflags-in-library
80e5111dcabc
·sjplimp / GitHub on Mar 28 2017, 20:50.
Merge pull request #433 from akohlmey/fixes-for-stable
7e9f05b617ad
·sjplimp / GitHub on Mar 28 2017, 20:49.
Merge branch 'master' into fixes-for-stable
1d8f0c762d2c
·Axel Kohlmeyer on Mar 28 2017, 20:37.
remove executable permissions for potential files
ef6070cbdeb5
·Axel Kohlmeyer on Mar 28 2017, 20:35.
Merge branch 'master' of github.com:lammps/lammps
61f3ff1d2be2
·Steve Plimpton on Mar 28 2017, 20:35.
fix gcmc units change for chemical potential
111d350a223f
·Steve Plimpton on Mar 28 2017, 20:34.
Merge pull request #432 from Pakketeretet2/user_manifold_fix
1dfd61f532a6
·sjplimp / GitHub on Mar 28 2017, 20:33.
Removed contribution line from header files
5c1f5462e792
·Oliver Henrich on Mar 28 2017, 20:08.
Resolved merge conflict
66a6375405b6
·Oliver Henrich on Mar 28 2017, 19:58.
fix memory leak via NeighListKokkos::clean_copy()
20ae05055dbb
·Dan Ibanez on Mar 28 2017, 19:38.
Update to oxDNA2
604afebf6fef
·Oliver Henrich on Mar 28 2017, 19:22.
Upgrade to oxDNA2
8afed61db1c8
·Oliver Henrich on Mar 28 2017, 19:16.
Changed the check on initial and final temperature to <= 0 for both.
ee55a981032f
·Stefan Paquay on Mar 28 2017, 17:22.
synchronize dump custom/vtk documentation with that of dump custom
f8da9a866a73
·Axel Kohlmeyer on Mar 28 2017, 17:00.
avoid segfault when calling PPPM*::memory_usage() before grid communication is…
28bdebd3c045
·Axel Kohlmeyer on Mar 28 2017, 13:50.
add some docs for the special treatment of image flags
fc51c38abb2b
·Axel Kohlmeyer on Mar 28 2017, 08:22.
add image flag packing/unpacking to library/python interface
443ea13effa4
·Axel Kohlmeyer on Mar 28 2017, 08:05.

Mar 27 2017

Make read_restart evenly divide the work of reading when using mpiio. Currently…
661bd37e15bc
·Tim Mattox on Mar 27 2017, 22:03.
one more line of dead code removed
5feeb79c13f2
·Axel Kohlmeyer on Mar 27 2017, 21:16.
fix problems with references
a241b2d0f7c8
·Axel Kohlmeyer on Mar 27 2017, 21:01.
remove references to xmovie, streamline dump and viz descriptions
61e7595a94bf
·Axel Kohlmeyer on Mar 27 2017, 20:59.
update .gitignore for newly added files
da9096750e55
·Axel Kohlmeyer on Mar 27 2017, 20:30.
bugfix for library interface
87ea9ba66162
·Axel Kohlmeyer on Mar 27 2017, 20:29.
remove dead code and reduce trivial compiler warnings (clang++)
c041727e4fed
·Axel Kohlmeyer on Mar 27 2017, 20:28.
Removed diagnostics.
3feffbe1de32
·Stefan Paquay on Mar 27 2017, 19:49.
Fixed a bug with equal-style variables as manifold params.
04fd038d350b
·Stefan Paquay on Mar 27 2017, 19:46.
USER-DPD Kokkos: tighten up the SSA data allocation to what is needed. A future…
0463923e330b
·Tim Mattox on Mar 27 2017, 18:04.
Now with the correct math, make read_restart properly size the atom_vec_* data
28784a4ce2de
·Tim Mattox on Mar 27 2017, 15:38.
Make read_restart properly size the atom_vec_* data when reading via mpiio
5f0823172c4a
·Tim Mattox on Mar 27 2017, 12:56.
USER-DPD: bugfix for an array that changed length in the non-kokkos version.
b418b46a03ac
·Tim Mattox on Mar 27 2017, 12:56.

Mar 24 2017

24Mar17 patch sync with SVN
3dfe4505ddcb
·Steve Plimpton on Mar 24 2017, 22:17.
new CHARMM pair styles with force swithing/shifting
394e9b42b06a
·Steve Plimpton on Mar 24 2017, 20:53.
Merge pull request #431 from v0i0/fix-airebo-morse
e6fcaefe95d3
·sjplimp / GitHub on Mar 24 2017, 17:03.
Merge pull request #429 from akohlmey/updates-for-stable
f5a85d68add0
·sjplimp / GitHub on Mar 24 2017, 17:01.
Merge pull request #417 from tonnamb/add-pair-zhou
277b93cb8956
·sjplimp / GitHub on Mar 24 2017, 16:41.

Mar 23 2017

Merge branch 'master' into updates-for-stable
8820315ff96a
·Axel Kohlmeyer on Mar 23 2017, 22:57.
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
44841f689127
·Steve Plimpton on Mar 23 2017, 22:31.
remove one more reference to xmovie
2cdcd6d63045
·Axel Kohlmeyer on Mar 23 2017, 21:03.
re-arranged functions to make it easier to compare with non-threaded. port…
47cade2bcff2
·Axel Kohlmeyer on Mar 23 2017, 20:19.
whitespace cleanup
a72efbea3699
·Axel Kohlmeyer on Mar 23 2017, 20:18.
apply airebo/m bugfix also to USER-OMP version
5c9892c083dd
·Axel Kohlmeyer on Mar 23 2017, 19:14.
Merge branch 'fix-airebo-morse' of https://github.com/v0i0/lammps into pull-431
9ecc5c8cf7aa
·Axel Kohlmeyer on Mar 23 2017, 19:12.
And getting it right...
47cebb0d2339
·Markus Hoehnerbach on Mar 23 2017, 17:43.
Fix airebo/morse
f127e428ccca
·Markus Hoehnerbach on Mar 23 2017, 17:37.
include citation for reference paper into pair style momb
568b67eee9cb
·Axel Kohlmeyer on Mar 23 2017, 17:00.
make pair style momb example follow LAMMPS conventions more closely
865b41e2014e
·Axel Kohlmeyer on Mar 23 2017, 16:50.
rename a couple more references to pair style zhou into momb
b88a7496808b
·Axel Kohlmeyer on Mar 23 2017, 16:38.
add example log file generated from 17Nov16 version of lammps, make minimize…
02e65900e6ef
·Tonnam Balankura on Mar 23 2017, 16:03.
change zhou to momb in src/USER-MISC/README
343c9eda82d3
·Tonnam Balankura on Mar 23 2017, 15:24.
rename pair_zhou to pair_momb in src and change class name from PairZhou to…
df8dbec67653
·Tonnam Balankura on Mar 23 2017, 15:22.
rename zhou to momb in examples
1075be7eca96
·Tonnam Balankura on Mar 23 2017, 15:18.
change name zhou to momb in docs, fix grammar
6d395ec511b3
·Tonnam Balankura on Mar 23 2017, 15:08.

Mar 22 2017

edit description and add related commands and default
bf560e78f348
·Tonnam Balankura on Mar 22 2017, 21:56.
Add names Tonnam and Ya to README
daae76c46505
·Tonnam Balankura on Mar 22 2017, 20:59.
Add Tonnam and Ya names
1ea9a14121ca
·Tonnam Balankura on Mar 22 2017, 20:55.
Revert "Cleanup of a few more references to obsoleted and removed tools like…
1db5834b99d0
·Axel Kohlmeyer on Mar 22 2017, 20:12.
Revert "correct inconsistent anchors"
3070b043be1b
·Axel Kohlmeyer on Mar 22 2017, 20:12.
Revert "remove reference to removed section on VMD scripts"
ef3f323fc47d
·Axel Kohlmeyer on Mar 22 2017, 20:12.
remove reference to removed section on VMD scripts
43a304f56451
·Axel Kohlmeyer on Mar 22 2017, 20:12.
correct inconsistent anchors
a79aef65e84a
·Axel Kohlmeyer on Mar 22 2017, 20:12.
some more whitespace cleanup
dc1d93a49108
·Axel Kohlmeyer on Mar 22 2017, 20:08.
remove reference to removed section on VMD scripts
66eb9c248620
·Axel Kohlmeyer on Mar 22 2017, 20:01.
correct inconsistent anchors
a14d58259c3e
·Axel Kohlmeyer on Mar 22 2017, 20:00.
Cleanup of a few more references to obsoleted and removed tools like xmovie
127597023df5
·Axel Kohlmeyer on Mar 22 2017, 19:57.
fully integrate support for doc_anchor_check into docs makefile
3ec16f3630c4
·Axel Kohlmeyer on Mar 22 2017, 19:40.
a few more small changes to integrate pair style zhou properly
cb9059652daa
·Axel Kohlmeyer on Mar 22 2017, 19:39.

Historymaster43cfa10ea48df7323ce4c15…

Jun 8 2017

Apr 11 2017

Apr 6 2017

Apr 5 2017

Apr 4 2017

Apr 2 2017

Apr 1 2017

Mar 31 2017

Mar 30 2017

Mar 29 2017

Mar 28 2017

Mar 27 2017

Mar 24 2017

Mar 23 2017

Mar 22 2017

History
master43cfa10ea48df7323ce4c15…