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6f1935ea40
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correct embarrassing typo
this always happens after too much exposure to fortran codes. :-(
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2017-09-15 21:58:47 -04:00 |
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02665e45a4
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fix doc in lib/latte/Makefile.lammps.*
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2017-09-15 17:52:14 -06:00 |
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cc2a53a8da
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Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte
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2017-09-15 17:43:48 -06:00 |
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d614d56c34
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Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt
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2017-09-15 17:41:02 -06:00 |
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39daf3c6f6
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added fix_latte.txt
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2017-09-15 17:40:34 -06:00 |
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17aeccf19f
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Merge remote-tracking branch 'origin/master' into latte
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2017-09-15 16:18:13 -06:00 |
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d101fe3e79
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Merge pull request #649 from akohlmey/fix-virial-aidan
Add support for selected fixes to optionally contribute to the virial
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2017-09-15 15:25:09 -06:00 |
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27f99534ec
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Merge pull request #654 from giacomofiorin/colvars-small-fix
Fix small typo to calculation of accumulated work in Colvars
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2017-09-15 15:22:09 -06:00 |
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5f6937dadd
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Merge pull request #653 from jdevemy/master
Bugfix for the limit keyword
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2017-09-15 15:21:53 -06:00 |
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3b39694f23
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Merge pull request #628 from lammps/cmake_improvements
CMake improvements
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2017-09-15 15:19:46 -06:00 |
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99e5dc7104
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add support for fix_modify virial yes to fix smd
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2017-09-15 01:21:16 -04:00 |
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ccb67d8dc5
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correct cut-n-paste errors in the documentation of fix_modify virial
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2017-09-15 01:20:56 -04:00 |
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2cd7cbd964
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correct cut-n-paste error, add docs
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2017-09-15 00:54:19 -04:00 |
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8776b81033
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add virial support to fix addforce
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2017-09-15 00:46:18 -04:00 |
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f1fce64ff9
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Fix small typo to calculation of accumulated work in Colvars
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2017-09-14 12:58:00 -04:00 |
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da7776f818
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Bugfix for the limit keyword
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2017-09-14 11:00:55 +02:00 |
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66f59f9ec0
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FindLATTE.cmake: fixed a typo
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2017-09-13 15:51:03 -06:00 |
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d84825fd7f
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remove useless files
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2017-09-13 14:37:24 -06:00 |
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f971cd6e45
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Merge pull request #647 from rbberger/gpu_opencl_2
Use OpenCL 2.x API in GPU package when supported
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2017-09-12 10:56:13 -06:00 |
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0cb3a3821f
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Merge pull request #644 from akohlmey/collected-small-fixes
Collected small fixes for next patch
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2017-09-12 10:31:51 -06:00 |
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e927794696
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Merge pull request #643 from andeplane/gpu_opencl_compile_fix
Fixed OpenCL compilation issues with __global keywords
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2017-09-12 10:31:22 -06:00 |
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e196a2b9e5
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import changes to various fixes by aidan to include virial contributions
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2017-09-11 22:24:06 -04:00 |
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cb19ef547e
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update src/.gitignore
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2017-09-11 22:00:58 -04:00 |
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95d8492853
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the original fix qeq went away over 7 years ago, we don't need to purge it
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2017-09-11 21:59:22 -04:00 |
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b3547a9eca
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add infrastructure for enabling fixes to contribute to the virial by aidan
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2017-09-11 11:09:59 -04:00 |
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84b84c10db
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Use OpenCL 2.x API in GPU package when supported
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2017-09-09 19:53:56 -04:00 |
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0be7f46750
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cmake: added USER-MESO
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2017-09-09 08:25:57 -06:00 |
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4738fedca3
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Merge remote-tracking branch 'origin/master' into cmake_improvements
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2017-09-09 08:22:30 -06:00 |
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1601433ca1
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cmake: fix lib suffix
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2017-09-09 07:05:51 -06:00 |
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3fdb6f10fa
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cmake: OpenCL is always found if required
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2017-09-09 06:51:24 -06:00 |
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ff18cff46b
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Merge branch 'cmake_pkg_libs' into cmake_improvements
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2017-09-08 23:34:59 -04:00 |
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8a06a7bc6b
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Add OpenCL support to CMake build
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2017-09-08 22:20:47 -04:00 |
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b861ea342e
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cmake: fix LATTE linkage
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2017-09-08 11:54:32 -06:00 |
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fce633aa5f
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cmake: tweaks for EXAALT superbuild, add latte_fix
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2017-09-08 11:33:49 -06:00 |
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2f6be88c4a
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Merge remote-tracking branch 'origin/master' into exaalt
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2017-09-08 07:04:12 -06:00 |
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7b1542a0ba
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merging stable and exaalt branches into exaaltstable
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2017-09-07 16:31:50 -06:00 |
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366d087027
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update docs for changes to makefiles
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2017-09-06 14:20:24 -04:00 |
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3a5d8362ff
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have only one common MPI makefile for KOKKOS with CUDA
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2017-09-06 14:16:17 -04:00 |
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5089b263b2
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make kokkos_cuda_mpi compatible with both MPICH and OpenMPI
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2017-09-06 14:15:27 -04:00 |
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de8297ea19
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recover ability to compile USER-INTEL without OpenMP enabled
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2017-09-06 12:02:14 -04:00 |
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fe557cb882
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fix typo in commands table
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2017-09-06 11:35:52 -04:00 |
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c80203cb01
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Merge pull request #641 from lammps/doc-tweak
small update to docs for new commands
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2017-09-06 08:52:51 -06:00 |
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4161868bcf
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Merge pull request #640 from ohenrich/user-cgdna
USER-CGDNA - sequence-dependent stacking and h-bonding strength
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2017-09-06 08:52:05 -06:00 |
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9ca39c89a6
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Merge pull request #639 from rbberger/python_interface_improvements
Python interface improvements
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2017-09-06 08:51:27 -06:00 |
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99791ce01c
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Merge pull request #632 from timattox/USER-DPD_kokkos_merge
Add Kokkos version of the USER-DPD package
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2017-09-06 08:50:43 -06:00 |
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0248a7b98e
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remove duplicate listing of deleted USER-DPD files from Purge.list
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2017-09-06 09:24:05 -05:00 |
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dbc60d949f
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Fixed OpenCL compilation issues with __global keywords
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2017-09-06 15:08:02 +02:00 |
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d886cc91f3
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fix syntax error in fix saed/vtk docs example
This addresses the issue reported on github
by @subhammridha closes thus clodes #642
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2017-09-05 17:45:56 -04:00 |
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4c5d901e2b
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fix stupid typo (too much compiling of fortran codes...)
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2017-09-05 16:45:03 -04:00 |
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c8f92c1a61
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add a couple deleted files from USER-DPD to Purge.list
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2017-09-05 16:42:58 -04:00 |
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