f3b355bcbe
Merge pull request #298 from akohlmey/collected-small-fixes
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Collected small fixes
2016-12-13 16:23:23 -07:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
fda43c00fd
add deleted file in package to purge list
2016-12-12 13:22:54 -05:00
13b6196b82
Fixing Kokkos compile error
2016-12-12 10:47:39 -07:00
baf55c90f4
Whitespace change
2016-12-12 09:25:41 -07:00
770f5d0bf7
Whitespace change
2016-12-12 09:24:37 -07:00
a31b00965a
Updating to master
2016-12-12 09:18:20 -07:00
31be0da590
Merging pull request
2016-12-09 16:17:35 -07:00
43c459ba56
More changes for Kokkos neighbor
2016-12-09 15:56:55 -07:00
5187cb97e5
USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list,
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instead of having pair_dpd_fdt* make the SSA-neighbor list request for it.
Forces an "extra" list to be built, but now skip lists work properly.
Maybe we can detect if skip lists won't be used, and squash the extra list.
2016-12-09 15:42:27 -06:00
eff503e56c
Prevent neighbor list copies between SSA and non-SSA neighbor list requests.
2016-12-09 15:39:46 -06:00
cdcebab3bd
make the output of the %CPU/OpenMP threads line consistent with compiling in OpenMP support, not having USER-OMP installed
2016-12-09 14:43:56 -05:00
435421301b
Small tweaks to Kokkos neighbor
2016-12-09 08:37:01 -07:00
9b48c49f83
Removing used Kokkos file
2016-12-08 09:18:55 -07:00
8318c67816
Kokkos neighbor refactor
2016-12-07 13:00:27 -07:00
7c61dbf5e2
Merge branch 'new-neighbor' of github.com:akohlmey/lammps into new-neighbor
2016-12-07 13:43:04 -05:00
39a12b15d7
Merge branch 'master' into new-neighbor
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Resolved Conflicts:
src/Purge.list
src/neigh_derive.cpp
2016-12-07 13:40:14 -05:00
45b85b1686
updated version of fix latte from SJP
2016-12-01 14:50:11 -07:00
3f68d370b5
Merge branch 'master' into USER-DPD_kokkos: up to date to 30Nov16 patch
2016-11-30 16:57:48 -05:00
6e6776f396
Finish moving/integrating atom_vec_dpd_kokkos into the Kokkos package
2016-11-30 16:25:07 -05:00
fb3f597f41
30Nov16 patch
2016-11-30 14:04:41 -07:00
d14814ae2e
Merge pull request #289 from akohlmey/collected-updates-and-bugfixes
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Collected updates and bugfixes
2016-11-30 14:02:41 -07:00
beb5a30f67
new compute global/atom command, also bug fix for descending dump sorts
2016-11-30 14:01:27 -07:00
789e62388f
simplify code
2016-11-29 09:03:53 -05:00
7d098bff90
update format
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(cherry picked from commit 2597185afb
2016-11-29 09:01:36 -05:00
1d970d3cdf
dihedral_nharmonic: added writing coefficient by write_data
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(cherry picked from commit 618f5c6aa5
2016-11-29 09:01:36 -05:00
5ff5bc2a6c
avoid issues detected by coverity scan
2016-11-28 21:34:35 -05:00
fe99fc287d
changes in fix_latte
2016-11-28 15:29:37 -07:00
6d94439cfe
Integrating pair_dpd_fdt_energy_kokkos files
2016-11-28 14:42:47 -07:00
91e38720d5
Adding pair_exp6_rx_kokkos files
2016-11-28 14:25:02 -07:00
470908fc93
explicitly disallow dynamic groups with compute rdf
2016-11-24 05:46:15 -05:00
6759630c16
bug fix for dump sort in descending order
2016-11-23 17:08:36 -07:00
df46b9aa38
rename compute pressure/grem to compute PRESSURE/GREM
2016-11-22 15:25:59 -05:00
59d100ab57
final prep for 22Nov patch
2016-11-22 09:23:02 -07:00
ff0441ac16
Merge pull request #286 from akohlmey/small-fixes-and-updates
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Collected small fixes and updates
2016-11-22 08:49:46 -07:00
41907d3110
Merge pull request #285 from akohlmey/fix-ipi-update
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update for fix ipi from michele ceriotti
2016-11-22 08:48:27 -07:00
b95f255af4
small changes to temper/grem commands
2016-11-22 08:47:44 -07:00
d7b542101a
Merge pull request #283 from akohlmey/grem-feature
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gREM generalized replica exchange feature for USER-MISC
2016-11-22 08:15:35 -07:00
0ffa50f8e8
tweaked author syntax
2016-11-22 08:15:13 -07:00
7590791604
Integrating atom_vec_dpd into the Kokkos package
2016-11-21 13:54:14 -07:00
7893215964
small comment/whitespace tweak
2016-11-21 12:46:43 -05:00
8f78157202
USER-DPD: aplly unpack_comm_hybrid bugfix d31121b to atom_vec_dpd_kokkos.cpp
2016-11-21 12:32:48 -05:00
1d939231a4
USER-DPD: initial Kokkos port, first steps from Aug 24th ARL Kokkos hackathon
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atom_vec_dpd_kokkos
pair_dpd_fdt_energy_kokkos without the Oct 7th VV support from e27ed6c
2016-11-21 12:21:01 -05:00
3dff9f2018
removed extra file
2016-11-21 12:05:30 -05:00
dab232c542
modified temper_grem name to fit conventions, re-ran example to match
2016-11-21 12:02:17 -05:00
87a5a35bad
A tiny bugfix for the reset flag, and a brief explanation of the changes
2016-11-20 00:44:23 +01:00
e175a18bdb
be more thorough in initializing optional data in pair style dpd/fdt/energy
2016-11-18 16:18:47 -05:00
a5bde82e37
update .gitignore for recent addition
2016-11-18 15:38:11 -05:00
176cde8ed3
minor cleanups
2016-11-18 15:36:38 -05:00
2862c20815
Merge branch 'master' into grem-feature
2016-11-18 14:51:46 -05:00
