09af780aa8
remove misleading comments
2017-01-06 21:31:39 -05:00
51fa33a407
patch 6Jan17
2017-01-06 11:14:48 -07:00
142770cb2a
enable pppm/tip4p to work with triclinic
2017-01-06 10:38:32 -07:00
63f202501b
Merge pull request #324 from ibaned/pair-table-kokkos-inherit
...
get PairTableKokkos to inherit from PairTable (also fix GPU)
2017-01-06 10:10:59 -07:00
83da5d3b5d
Merge pull request #323 from akohlmey/pppm-cg-triclinic
...
synchronize pppm/cg with changes in pppm and remove block on triclinic
2017-01-06 10:10:09 -07:00
ebbf60b112
Merge pull request #319 from andeplane/domain_bug
...
Fixed bug in lamda_box_corners function
2017-01-06 10:03:32 -07:00
12c4fa25e8
Merge pull request #318 from andeplane/initialize_pointers
...
Initializing pointers in neighbor.cpp
2017-01-06 10:03:05 -07:00
3ac58452de
Merge pull request #310 from EfremBraun/master
...
Fix nvk implemented
2017-01-06 10:02:22 -07:00
467377094a
Merge pull request #314 from stanmoore1/fix-momentum-kokkos
...
Fix momentum kokkos
2017-01-06 10:01:17 -07:00
5656e90b78
Merge pull request #313 from stanmoore1/kokkos_bugfixes
...
Kokkos bugfixes
2017-01-06 10:00:33 -07:00
41a6a3076e
Merge pull request #309 from giacomofiorin/colvars-2016-12-22
...
Update Colvars library to version 2016-12-22
2017-01-06 09:58:20 -07:00
d4e8d47387
Merge pull request #306 from timattox/USER-DPD_updates
...
USER-DPD updates
2017-01-06 09:58:01 -07:00
f6a819580c
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
7201f003e5
move another enum back
...
see lammps/lammps#325
2017-01-05 21:00:39 -07:00
d8ddef37ed
put enum back in .cpp file
...
see lammps/lammps#325
2017-01-05 20:56:37 -07:00
ad1402562d
Revert "move enum to pair.h"
...
This reverts commit a1ac2ae9b7
2017-01-05 20:54:24 -07:00
70927d08e7
remove duplicate enum
2017-01-05 20:53:45 -07:00
a1ac2ae9b7
move enum to pair.h
...
to avoid having it be replicated
in several different locations
2017-01-05 20:53:45 -07:00
3941fe9ab7
fix compilation
2017-01-05 20:53:45 -07:00
318ab9a185
trying PairTableRX : public PairTable
...
saves a lot of duplicate code
2017-01-05 20:53:45 -07:00
9bf771207d
make PairTable::allocate() virtual
...
forgot to extract this change when
separating the commits for PairTableRX
and PairTableKokkos.
2017-01-05 20:46:05 -07:00
b9144d6332
Revert "move enum to pair.h"
...
This reverts commit aebc8ea826
2017-01-05 20:22:15 -07:00
267f05e5ca
protect PairTable dtor with copymode
2017-01-05 15:38:45 -07:00
aebc8ea826
move enum to pair.h
...
to avoid having it be replicated
in several different locations
2017-01-05 15:38:45 -07:00
53a1de1d40
fix several GPU memory bugs in pair_table_kokkos
2017-01-05 15:38:45 -07:00
d059b5d334
fix crash in create_kokkos_tables
...
the code was crashing when trying to
deep_copy or assign views that had
not been allocated
2017-01-05 15:38:45 -07:00
7cff343680
fix allocation regressions in PairTableKokkos
2017-01-05 15:38:45 -07:00
a1ac861084
PairTableKokkos : public PairTable
2017-01-05 15:38:45 -07:00
17bdb57bb4
try PairTableKokkos : public PairTable
...
realize that there is a lot of copy-paste
in this codebase.
2017-01-05 15:38:45 -07:00
e5906dfba0
Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt
2017-01-05 15:37:21 -07:00
967cdd947e
cleanup
2017-01-05 15:37:01 -07:00
19f2d2d1ec
fix many warnings in pair_dpd_fdt_energy_kokkos
...
one Kokkos kernel was not annotated consistently,
STACKPARAMS was essentially uninitialized and
confused with a local variable,
plus lots of variables were unused in some
of the Kokkos kernels.
2017-01-05 15:34:05 -07:00
332372dec2
Renamed Makefile.afrl_thunder to Makefile.icex to be more general.
2017-01-05 14:03:16 -05:00
8503ac22a8
Fixed error->all instead of error->one bug in USER-DPD/fix_shardlow.cpp.
...
During dynamic load balancing, the subdomains will not be uniform so the
bbox size test in USER-DPD/fix_shardlow.cpp may only be called by one rank.
Using error->one allows any rank to stop the simulation in this scenario.
Added rcut and bbox information to help in diagnostics.
2017-01-05 13:58:11 -05:00
cc4040de10
Merge remote-tracking branch 'origin/USER-DPD_kokkos' into USER-DPD_kokkos
2017-01-05 12:25:45 -05:00
a4271ae8c5
Added a Makefile for AFRL Thunder.
2017-01-04 15:13:46 -05:00
4cfe122ac6
fix warning about enum comparisons
2017-01-04 08:10:08 -07:00
b46629ee39
Merge pull request #5 from ibaned/kokkos-fixes
...
prevent implicit dereference of s_CTEMP
2017-01-04 08:06:55 -07:00
42bbeb3f16
NULLing pointers after delete
2017-01-04 16:04:05 +01:00
a7c5905ca4
prevent implicit dereference of s_CTEMP
2017-01-03 15:17:33 -07:00
b5c7d44299
Merge branch 'USER-DPD_kokkos_updates' into USER-DPD_kokkos
2017-01-03 12:35:24 -07:00
fe3c98cdbb
Merge pull request #4 from ibaned/dpd-fixes
...
some warning fixes
2017-01-03 14:29:11 -05:00
ae0e882cde
Updating pair_multi_lucy_rx_kokkos to USER-DPD changes
2017-01-03 11:51:28 -07:00
6d7607a6ad
member function containing lambdas must be public
2017-01-03 11:50:44 -07:00
e3ebd8e7f1
remove syncs that shouldn't be needed
2017-01-03 11:50:44 -07:00
dae132c770
place newline at end of file
2017-01-03 11:42:40 -07:00
e632f8597a
fix warning about enum comparisons
2017-01-03 11:42:39 -07:00
89795b3653
got fix_dpd_energy_kokkos to compile
2017-01-03 11:41:40 -07:00
04e2f170a3
first draft fix_dpd_energy_kokkos
...
had to make k_duCond and k_duMech
in pair_dpd_fdt_energy_kokkos
public so they could be accessed
and sync'ed
2017-01-03 11:41:40 -07:00
53e07996c6
save draft of fix_dpd_energy_kokkos.cpp
2017-01-03 11:41:39 -07:00
