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2dd202cc76
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USER-DPD: remove some out-of-date FIXME comments in fix_shardlow_kokkos.cpp
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2017-08-30 10:34:09 -05:00 |
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f2d8c37f27
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Rename SSA specific debug #ifdef to DEBUG_SSA_PAIR_CT
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2017-08-30 10:24:29 -05:00 |
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a4a45f1d9c
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Remove unnecessary check in npair_kokkos
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2017-08-29 17:25:13 -06:00 |
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f57d194920
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Add files via upload
documentation for temper/npt
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2017-08-29 10:40:37 -04:00 |
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34b3fc2157
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Fix GPU CMake compilation
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2017-08-29 01:20:34 -04:00 |
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098861375b
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SOVERSION not needed for STATIC libs
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2017-08-28 16:18:58 -06:00 |
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19b77857dc
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fix Fortran flags for MEAM
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2017-08-28 14:59:01 -06:00 |
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bd9dc4886d
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cmake: README is markdown
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2017-08-28 14:27:12 -06:00 |
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9207f6540e
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fix liblammps install
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2017-08-28 14:11:21 -06:00 |
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736e063971
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Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge
Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
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2017-08-28 14:46:50 -05:00 |
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62928a1637
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make GPU flags local to libgpu
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2017-08-28 13:24:41 -06:00 |
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c8dfe0c3de
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drop BUILD_SHARED_PKG_LIBS and make all pkglibs static
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2017-08-28 13:17:27 -06:00 |
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6a4bbddb3b
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Add files via upload
data file for example
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2017-08-28 14:56:37 -04:00 |
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2add18e013
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Create in.temper_npt
example for temper/npt
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2017-08-28 14:55:43 -04:00 |
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d0efd3a422
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Add files via upload
Updated command to temper/npt instead of temper_npt
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2017-08-28 14:48:00 -04:00 |
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f47cc0aab5
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simpilfy pkg lib build
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2017-08-27 18:55:28 -06:00 |
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57872c8b60
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drop INSTALL_LIB option
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2017-08-27 18:42:32 -06:00 |
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4bff008777
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enable PIC globally
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2017-08-27 18:40:55 -06:00 |
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eed4815953
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Non-rigid fixes with post-force() not allowed after fix poems
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2017-08-27 20:03:28 -03:00 |
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fa5ec0bae7
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Fixes with post-force() not allowed after fix rigid or rigid/small
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2017-08-27 19:22:37 -03:00 |
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153c771a6d
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Use PIC in mpi_stubs when BUILD_SHARED_LIBS=on
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2017-08-27 17:27:43 -04:00 |
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313b8bc2fa
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build lib/gpu as a library
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2017-08-27 17:00:56 -04:00 |
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5308ee67fa
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fix shared build and mscg install
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2017-08-27 13:45:48 -06:00 |
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c196025ea9
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make molfile less special
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2017-08-27 12:23:30 -06:00 |
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bc11868986
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cmake: fixed a typo
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2017-08-27 12:13:35 -06:00 |
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e4415735f2
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check for '-fno-second-underscore'
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2017-08-27 12:10:46 -06:00 |
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98f27162ba
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make libmpi_stubs
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2017-08-27 11:37:57 -06:00 |
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bdc117bf10
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cmake: convert mscg into a lib
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2017-08-27 07:15:00 -06:00 |
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b7ec720f91
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link QUIP against LAPACK_LIB too
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2017-08-27 07:13:55 -06:00 |
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47f16c0d70
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cmake: move shared libs install warning in one place
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2017-08-27 07:06:08 -06:00 |
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76926b7fcf
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Compile linalg as library and track link dependencies for correct link order
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2017-08-27 03:54:40 -04:00 |
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67ae2719a8
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Simplify lib build by using target_include_directories
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2017-08-27 03:04:32 -04:00 |
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7572dc63db
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Computation of forces/torques on rigid bodies moved to post_force
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2017-08-26 18:24:47 -03:00 |
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21893539cb
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Merge pull request #633 from lammps/doc-user-meso
tweak an eq in USER-MESO, also allow neigh to be built w/out styles
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2017-08-25 17:41:00 -06:00 |
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dd101db79c
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Merge pull request #582 from stanmoore1/kk_changes
Fixing execution space issues in KOKKOS package
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2017-08-25 17:06:26 -06:00 |
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81ba181349
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tweak an eq in USER-MESO, also allow neigh to be built w/out styles
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2017-08-25 17:04:36 -06:00 |
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e52a28f8af
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Update docs for Kokkos version of USER-DPD package
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2017-08-25 16:20:42 -06:00 |
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01dd0e173e
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Merge branch 'master' into USER-DPD_kokkos_merge
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2017-08-25 16:02:27 -06:00 |
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1f8c4f2c62
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Remove hardcoded map variables and debug output
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2017-08-25 15:31:00 -06:00 |
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b73999ef21
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Revert change to read_data.cpp
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2017-08-25 15:25:41 -06:00 |
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1e16fed9ab
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Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay
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2017-08-25 15:16:19 -06:00 |
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a062944de9
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Fix execution space issues
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2017-08-25 14:45:47 -06:00 |
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a641289d5b
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Must use atomics for GPUs in pair_exp6_rx_kokkos
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2017-08-25 12:36:53 -06:00 |
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6195b3c0f6
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Merge pull request #631 from akohlmey/small-fixes-and-updates
Small fixes and updates for patch release
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2017-08-24 08:35:32 -06:00 |
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de0fdbed6c
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moltemplate bugfix update
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2017-08-24 07:12:45 -04:00 |
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dea92fbf52
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print write dump systen init warning only on MPI rank 0
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2017-08-23 21:01:55 -04:00 |
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6db3bd87ee
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correct typo in header formatting
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2017-08-23 17:52:09 -04:00 |
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e55fa9d320
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Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks
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2017-08-23 15:21:39 -06:00 |
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cbf3646806
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Merge branch 'master' into USER-DPD_kokkos
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2017-08-23 15:20:56 -06:00 |
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f5a99dece7
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Remove unnecessary thread fences
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2017-08-23 15:08:44 -06:00 |
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