Diffusion lammps (master) History

lammps/src
master04fe071968642695cf5fa8b…

Jan 12 2017

put pair_lj_coul in kokkos_type.h
c94030d96631
·Dan Ibanez on Jan 12 2017, 21:37.

Jan 11 2017

fix a CUDA constructor warning
9f4e5e06616c
·Dan Ibanez on Jan 11 2017, 17:11.

Jan 10 2017

Fixing compile error with Kokkos CUDA Makefiles
7839c335da14
·Stan Moore on Jan 10 2017, 21:05.

Jan 9 2017

Adding enable_lambda to KOKKOS_CUDA_OPTIONS
9250a55923ca
·Stan Moore on Jan 9 2017, 20:24.

Jan 6 2017

patch 6Jan17
51fa33a407c7
·Steve Plimpton on Jan 6 2017, 19:14.
enable pppm/tip4p to work with triclinic
142770cb2a69
·Steve Plimpton on Jan 6 2017, 18:38.
Merge pull request #324 from ibaned/pair-table-kokkos-inherit
63f202501b27
·sjplimp / GitHub on Jan 6 2017, 18:10.
Merge pull request #323 from akohlmey/pppm-cg-triclinic
83da5d3b5d6f
·sjplimp / GitHub on Jan 6 2017, 18:10.
Merge pull request #319 from andeplane/domain_bug
ebbf60b1120b
·sjplimp / GitHub on Jan 6 2017, 18:03.
Merge pull request #318 from andeplane/initialize_pointers
12c4fa25e8b1
·sjplimp / GitHub on Jan 6 2017, 18:03.
Merge pull request #310 from EfremBraun/master
3ac58452de6a
·sjplimp / GitHub on Jan 6 2017, 18:02.
Merge pull request #314 from stanmoore1/fix-momentum-kokkos
467377094aad
·sjplimp / GitHub on Jan 6 2017, 18:01.
Merge pull request #313 from stanmoore1/kokkos_bugfixes
5656e90b7882
·sjplimp / GitHub on Jan 6 2017, 18:00.
Merge pull request #309 from giacomofiorin/colvars-2016-12-22
41a6a3076e17
·sjplimp / GitHub on Jan 6 2017, 17:58.
Merge pull request #306 from timattox/USER-DPD_updates
d4e8d4738769
·sjplimp / GitHub on Jan 6 2017, 17:58.
pair TIP4P bug fix for cutoffs >> box size
f6a819580c6b
·Steve Plimpton on Jan 6 2017, 17:57.
make PairTable::allocate() virtual
9bf771207d7f
·Dan Ibanez on Jan 6 2017, 04:46.
Revert "move enum to pair.h"
b9144d63325d
·Dan Ibanez on Jan 6 2017, 04:22.

Jan 5 2017

protect PairTable dtor with copymode
267f05e5ca0c
·Dan Ibanez on Jan 5 2017, 23:38.
move enum to pair.h
aebc8ea82671
·Dan Ibanez on Jan 5 2017, 23:38.
fix several GPU memory bugs in pair_table_kokkos
53a1de1d4081
·Dan Ibanez / Dan Ibanez on Jan 5 2017, 23:38.
fix crash in create_kokkos_tables
d059b5d3344f
·Dan Ibanez / Dan Ibanez on Jan 5 2017, 23:38.
fix allocation regressions in PairTableKokkos
7cff343680ce
·Dan Ibanez on Jan 5 2017, 23:38.
PairTableKokkos : public PairTable
a1ac86108494
·Dan Ibanez on Jan 5 2017, 23:38.
try PairTableKokkos : public PairTable
17bdb57bb469
·Dan Ibanez on Jan 5 2017, 23:38.

Jan 4 2017

fix warning about enum comparisons
4cfe122ac692
·Dan Ibanez / Stan Moore on Jan 4 2017, 16:10.
Merge pull request #5 from ibaned/kokkos-fixes
b46629ee39f2
·Stan Moore / GitHub on Jan 4 2017, 16:06.
NULLing pointers after delete
42bbeb3f16cf
·Anders Hafreager on Jan 4 2017, 16:04.

Jan 3 2017

prevent implicit dereference of s_CTEMP
a7c5905ca4ec
·Dan Ibanez on Jan 3 2017, 23:17.
Fixed bug in lamda_box_corners function
37d5567f6d8b
·Anders Hafreager on Jan 3 2017, 11:54.
Initializing pointers in neighbor.cpp
b10d0c17eca3
·Anders Hafreager on Jan 3 2017, 11:24.

Dec 28 2016

add authorship attribution
94c4f8fe5f13
·Axel Kohlmeyer on Dec 28 2016, 23:03.
Moved fix_nvk to USER-MISC, updated documentation to reflect move
aa146e9b383c
·Efrem Braun on Dec 28 2016, 19:06.
Disallowing full neighborlist for pair_tersoff_kokkos styles until a bugfix is…
eca9539f84f7
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
Fixing Kokkos bug when many atom types
27172c4a553b
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
Fixing bug with Kokkos and reading restart files
4f195254af35
·Stan Moore / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:59.
rename region_block_kokkos inside()
9a0007a13f43
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:56.
silence "implicit dereference" warning
994f36bc6f8b
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:56.
add missing return in comm_tiled_kokkos
b3557bfbf50f
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:55.
repair sync bugs in fix_momentum_kokkos
371df8ea72d6
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:51.
ensure velocity is marked as modified before syncing
06ae2804f6c2
·Dan Ibanez / Stan Gerald Moore (stamoor) on Dec 28 2016, 18:51.
Made documentation changes to fix nvk
68814d4fc818
·Efrem Braun on Dec 28 2016, 16:26.
Fix nvk implemented.
616ca1de0345
·Efrem Braun on Dec 28 2016, 16:17.

Dec 27 2016

Update Colvars library to version 2016-12-22
f553e230dbcb
·Giacomo Fiorin on Dec 27 2016, 19:17.

Dec 24 2016

synchronize pppm/cg with pppm and remove block on triclinic
634eb357d2a7
·Axel Kohlmeyer on Dec 24 2016, 22:09.

Dec 23 2016

USER-DPD: bugfix for new PairExp6rx::polynomialScaling() function.
a1036f2d74be
·Tim Mattox on Dec 23 2016, 17:36.

Dec 22 2016

USER-DPD: Several updates to *_rx files: 1) Added MY_EPSILON to handle machine…
3faa57a413d2
·Tim Mattox on Dec 22 2016, 23:15.
USER-DPD: remove unused variable, and convert some constants to MY_EPSILON
fa435fb51464
·Tim Mattox on Dec 22 2016, 23:05.

Dec 21 2016

Merge pull request #2 from ibaned/fix-momentum-kokkos
304f65b16424
·stanmoore1 / GitHub on Dec 21 2016, 20:23.
need to sync new velocities back to host
ae8d882b0302
·Dan Ibanez on Dec 21 2016, 18:57.
workaround CUDA View::reference_type
7559bc9c5f25
·Dan Ibanez on Dec 21 2016, 18:21.
21Dec16 patch
62dea1bb6345
·Steve Plimpton on Dec 21 2016, 17:53.
Merge pull request #304 from timattox/USER-DPD_whitespace
800ff4341384
·sjplimp / GitHub on Dec 21 2016, 17:51.
fixed bug with pair hybrid/overaly and manybody potentials finding the right…
9161bd98bf09
·Steve Plimpton on Dec 21 2016, 17:50.
allow constructing Few from array on device
f3327ca214c6
·Dan Ibanez on Dec 21 2016, 17:21.
allow fix momentum angular with CUDA
54963ba7da9b
·Dan Ibanez on Dec 21 2016, 16:55.
CUDA-friendly fix_momentum_kokkos angular
ea76041803b9
·Dan Ibanez on Dec 21 2016, 16:54.
draft CUDA-callable version of Domain::unmap
7fb4faa4392e
·Dan Ibanez on Dec 21 2016, 16:53.
allow constructing Few from C array
41c9357ddea6
·Dan Ibanez on Dec 21 2016, 16:53.
add kokkos_few.h to .gitignore for /src
d1a55ad2e07d
·Dan Ibanez on Dec 21 2016, 16:07.
get fix_momentum_kokkos to compile on White
d9a0f575f6ce
·Dan Ibanez on Dec 21 2016, 16:01.
put Few in the global namespace...
01e3a316395d
·Dan Ibanez on Dec 21 2016, 16:01.
silence warning about partial x2lamda overload
992becc75fea
·Dan Ibanez on Dec 21 2016, 16:00.
add a Makefile for the White testbed
8b5e15e979da
·Dan Ibanez on Dec 21 2016, 00:30.
start working on fix_momentum Kokkos+CUDA
b2b33cca16aa
·Dan Ibanez on Dec 21 2016, 00:30.
install kokkos_few, and remove Int
2ceee6b9be3a
·Dan Ibanez on Dec 21 2016, 00:19.
start porting my Few class into this code
386c12c970c1
·Dan Ibanez on Dec 21 2016, 00:09.

Dec 20 2016

fix_momentum_kokkos: don't override init()
590f31755091
·Dan Ibanez on Dec 20 2016, 19:03.
USER-DPD: more whitespace fixes
c4e02a5d2b60
·Tim Mattox on Dec 20 2016, 17:17.

Dec 19 2016

preemptive changes for Kokkos+CUDA
c7ac9e79cb9e
·Dan Ibanez on Dec 19 2016, 21:17.
USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp
2ba424e1a36e
·Tim Mattox on Dec 19 2016, 21:11.
got fix_momentum_kokkos to compile
ca30c1ec8850
·Dan Ibanez on Dec 19 2016, 21:08.
draft the parallel_* constructs based on lambdas
a1b441a71fa7
·Dan Ibanez on Dec 19 2016, 20:02.
first draft
f6f2170369e9
·Dan Ibanez on Dec 19 2016, 19:28.

Dec 16 2016

17Dec16 patch
81a2db8a0cbc
·Steve Plimpton on Dec 16 2016, 19:36.
extra python_wrapper change needed for last patch
0a176841e7cd
·Steve Plimpton on Dec 16 2016, 19:35.
patch 16Dec16
3027ac92507e
·Steve Plimpton on Dec 16 2016, 18:30.
Merge pull request #301 from akohlmey/corrections-and-bugfixes
fc54ab5cea21
·sjplimp / GitHub on Dec 16 2016, 18:25.
added length keyword to python command
e364b80724ae
·Steve Plimpton on Dec 16 2016, 18:24.
Merge branch 'USER-DPD_internal_energy' of https://github.
830c9e866139
·Axel Kohlmeyer on Dec 16 2016, 17:22.
Merge branch 'USER-DPD_bugfixes' of https://github.com/timattox/lammps_USER-DPD…
4907b29ad223
·Axel Kohlmeyer on Dec 16 2016, 17:21.
USER-DPD: fix_eos*: partition all internal energy into the uMech term only This…
eff7238ff224
·Tim Mattox on Dec 16 2016, 16:25.
USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h
126fb22e9355
·Tim Mattox on Dec 16 2016, 16:08.

Dec 15 2016

USER-DPD: Update the header files to properly document all error statements…
0a90492c4447
·Tim Mattox on Dec 15 2016, 23:39.
USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files. Patch…
fed629c23e56
·Tim Mattox on Dec 15 2016, 23:10.
USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0…
925481c3f40d
·Tim Mattox on Dec 15 2016, 22:46.

Dec 14 2016

update FixIntel code for new neighbor list code
da2ad5b6e0bd
·Axel Kohlmeyer on Dec 14 2016, 21:51.
restore change to make -DLAMMPS_MEMALIGN=64 default when USER-INTEL package is…
bfcab72268bf
·Axel Kohlmeyer on Dec 14 2016, 21:24.
patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package…
f509f133afd9
·Steve Plimpton on Dec 14 2016, 01:14.
Merge pull request #185 from akohlmey/new-neighbor
624c57e9dacb
·sjplimp / GitHub on Dec 14 2016, 00:24.
Merge pull request #298 from akohlmey/collected-small-fixes
f3b355bcbea7
·sjplimp / GitHub on Dec 14 2016, 00:23.
added functionity to lib interface
ae5764beac4e
·Steve Plimpton on Dec 14 2016, 00:22.

Dec 12 2016

add deleted file in package to purge list
fda43c00fd99
·Axel Kohlmeyer on Dec 12 2016, 19:22.
Fixing Kokkos compile error
13b6196b8235
·Stan Moore on Dec 12 2016, 18:47.
Whitespace change
baf55c90f472
·Stan Moore on Dec 12 2016, 17:25.
Whitespace change
770f5d0bf736
·Stan Moore on Dec 12 2016, 17:24.
Updating to master
a31b00965a81
·Stan Moore on Dec 12 2016, 17:18.

Dec 10 2016

Merging pull request
31be0da59008
·Stan Moore on Dec 10 2016, 00:17.

Dec 9 2016

More changes for Kokkos neighbor
43c459ba5694
·Stan Moore on Dec 9 2016, 23:56.
USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list, instead…
5187cb97e5f1
·Tim Mattox on Dec 9 2016, 22:42.

lammps/srcmaster04fe071968642695cf5fa8b…

Jan 12 2017

Jan 11 2017

Jan 10 2017

Jan 9 2017

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Jan 4 2017

Jan 3 2017

Dec 28 2016

Dec 27 2016

Dec 24 2016

Dec 23 2016

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Dec 21 2016

Dec 20 2016

Dec 19 2016

Dec 16 2016

Dec 15 2016

Dec 14 2016

Dec 12 2016

Dec 10 2016

Dec 9 2016

lammps/src
master04fe071968642695cf5fa8b…