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| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 48dd824b2601 | Axel Kohlmeyer | ignore generated header files with OpenCL kernels | Sep 19 2017 | ||||
| cdb6ec7419d0 | Axel Kohlmeyer | reverse the pre-processor logic of the LRT mode define | Sep 19 2017 | ||||
| aad8cd10ffa2 | Axel Kohlmeyer | allow fix viscous to be used with dynamic groups | Sep 19 2017 | ||||
| 1ac90815f342 | Axel Kohlmeyer | fix external only needs to collect virial in case it is requested | Sep 18 2017 | ||||
| 5f1842829e48 | Axel Kohlmeyer | activate virial contribution in `fix lb/rigid/pc/sphere` by default and protect… | Sep 18 2017 | ||||
| 66130f555700 | Axel Kohlmeyer | whether virial contributions from fixes are included depend on thermo_virial… | Sep 18 2017 | ||||
| 388eab5eebe5 | Axel Kohlmeyer | correctly initialize `thermo_virial` in fix poems and protect access to… | Sep 18 2017 | ||||
| a500048c9c4a | Axel Kohlmeyer | remove bogus version of temper/npt command | Sep 18 2017 | ||||
| b4ecad7fbf5b | Axel Kohlmeyer | remove another couple of purge items from long ago | Sep 18 2017 | ||||
| b5894e2190ca | Axel Kohlmeyer | automatically call 'make purge' before calling 'make package-update' or 'make… | Sep 18 2017 | ||||
| 6f1935ea4058 | Axel Kohlmeyer | correct embarrassing typo | Sep 16 2017 | ||||
| 02665e45a400 | Christoph Junghans | fix doc in lib/latte/Makefile.lammps.* | Sep 16 2017 | ||||
| cc2a53a8daef | Christoph Junghans | Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte | Sep 16 2017 | ||||
| d614d56c34c4 | Christian Negre | Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt | Sep 16 2017 | ||||
| 39daf3c6f68f | Christian Negre | added fix_latte.txt | Sep 16 2017 | ||||
| 17aeccf19f3f | Christoph Junghans | Merge remote-tracking branch 'origin/master' into latte | Sep 16 2017 | ||||
| d101fe3e79fd | Steve Plimpton/GitHub | Merge pull request #649 from akohlmey/fix-virial-aidan | Sep 15 2017 | ||||
| 27f99534ecc4 | Steve Plimpton/GitHub | Merge pull request #654 from giacomofiorin/colvars-small-fix | Sep 15 2017 | ||||
| 5f6937daddcb | Steve Plimpton/GitHub | Merge pull request #653 from jdevemy/master | Sep 15 2017 | ||||
| 3b39694f2386 | Steve Plimpton/GitHub | Merge pull request #628 from lammps/cmake_improvements | Sep 15 2017 | ||||
| 99e5dc710461 | Axel Kohlmeyer | add support for fix_modify virial yes to fix smd | Sep 15 2017 | ||||
| ccb67d8dc511 | Axel Kohlmeyer | correct cut-n-paste errors in the documentation of fix_modify virial | Sep 15 2017 | ||||
| 2cd7cbd96415 | Axel Kohlmeyer | correct cut-n-paste error, add docs | Sep 15 2017 | ||||
| 8776b8103337 | Axel Kohlmeyer | add virial support to fix addforce | Sep 15 2017 | ||||
| f1fce64ff9df | Giacomo Fiorin | Fix small typo to calculation of accumulated work in Colvars | Sep 14 2017 | ||||
| da7776f818b8 | Julien Devemy | Bugfix for the limit keyword | Sep 14 2017 | ||||
| 66f59f9ec0b7 | Christoph Junghans | FindLATTE.cmake: fixed a typo | Sep 13 2017 | ||||
| d84825fd7ff4 | Christoph Junghans | remove useless files | Sep 13 2017 | ||||
| f971cd6e4510 | Steve Plimpton/GitHub | Merge pull request #647 from rbberger/gpu_opencl_2 | Sep 12 2017 | ||||
| 0cb3a3821ffb | Steve Plimpton/GitHub | Merge pull request #644 from akohlmey/collected-small-fixes | Sep 12 2017 | ||||
| e927794696f8 | Steve Plimpton/GitHub | Merge pull request #643 from andeplane/gpu_opencl_compile_fix | Sep 12 2017 | ||||
| e196a2b9e54a | Axel Kohlmeyer | import changes to various fixes by aidan to include virial contributions | Sep 12 2017 | ||||
| cb19ef547e0d | Axel Kohlmeyer | update src/.gitignore | Sep 12 2017 | ||||
| 95d849285345 | Axel Kohlmeyer | the original fix qeq went away over 7 years ago, we don't need to purge it | Sep 12 2017 | ||||
| b3547a9eca79 | Axel Kohlmeyer | add infrastructure for enabling fixes to contribute to the virial by aidan | Sep 11 2017 | ||||
| 84b84c10db1b | Richard Berger | Use OpenCL 2.x API in GPU package when supported | Sep 10 2017 | ||||
| 0be7f4675083 | Christoph Junghans | cmake: added USER-MESO | Sep 9 2017 | ||||
| 4738fedca32f | Christoph Junghans | Merge remote-tracking branch 'origin/master' into cmake_improvements | Sep 9 2017 | ||||
| 1601433ca1e5 | Christoph Junghans | cmake: fix lib suffix | Sep 9 2017 | ||||
| 3fdb6f10fac8 | Christoph Junghans | cmake: OpenCL is always found if required | Sep 9 2017 | ||||
| ff18cff46bfe | Richard Berger | Merge branch 'cmake_pkg_libs' into cmake_improvements | Sep 9 2017 | ||||
| 8a06a7bc6bfe | Richard Berger | Add OpenCL support to CMake build | Sep 9 2017 | ||||
| b861ea342e46 | Christoph Junghans | cmake: fix LATTE linkage | Sep 8 2017 | ||||
| fce633aa5f4d | Christoph Junghans | cmake: tweaks for EXAALT superbuild, add latte_fix | Sep 8 2017 | ||||
| 2f6be88c4a4b | Christoph Junghans | Merge remote-tracking branch 'origin/master' into exaalt | Sep 8 2017 | ||||
| 7b1542a0ba2b | Richard Zamora | merging stable and exaalt branches into exaaltstable | Sep 8 2017 | ||||
| 366d08702780 | Axel Kohlmeyer | update docs for changes to makefiles | Sep 6 2017 | ||||
| 3a5d8362ffdc | Axel Kohlmeyer | have only one common MPI makefile for KOKKOS with CUDA | Sep 6 2017 | ||||
| 5089b263b23a | Axel Kohlmeyer | make kokkos_cuda_mpi compatible with both MPICH and OpenMPI | Sep 6 2017 | ||||
| de8297ea194b | Axel Kohlmeyer | recover ability to compile USER-INTEL without OpenMP enabled | Sep 6 2017 | ||||
| fe557cb882e2 | Axel Kohlmeyer | fix typo in commands table | Sep 6 2017 | ||||
| c80203cb0115 | Steve Plimpton/GitHub | Merge pull request #641 from lammps/doc-tweak | Sep 6 2017 | ||||
| 4161868bcf69 | Steve Plimpton/GitHub | Merge pull request #640 from ohenrich/user-cgdna | Sep 6 2017 | ||||
| 9ca39c89a6a3 | Steve Plimpton/GitHub | Merge pull request #639 from rbberger/python_interface_improvements | Sep 6 2017 | ||||
| 99791ce01c09 | Steve Plimpton/GitHub | Merge pull request #632 from timattox/USER-DPD_kokkos_merge | Sep 6 2017 | ||||
| 0248a7b98e9e | Tim Mattox | remove duplicate listing of deleted USER-DPD files from Purge.list | Sep 6 2017 | ||||
| dbc60d949f56 | Anders Hafreager | Fixed OpenCL compilation issues with __global keywords | Sep 6 2017 | ||||
| d886cc91f3b3 | Axel Kohlmeyer | fix syntax error in fix saed/vtk docs example | Sep 5 2017 | ||||
| 4c5d901e2b04 | Axel Kohlmeyer | fix stupid typo (too much compiling of fortran codes...) | Sep 5 2017 | ||||
| c8f92c1a617a | Axel Kohlmeyer | add a couple deleted files from USER-DPD to Purge.list | Sep 5 2017 | ||||
| dec1d7b2dc48 | Axel Kohlmeyer | re-indent so that gcc no longer complains about inconsistent indentation | Sep 5 2017 | ||||
| 45602e58f99a | Axel Kohlmeyer/GitHub | fix another couple of typos | Sep 5 2017 | ||||
| cd72532fb934 | Axel Kohlmeyer/GitHub | fix typo | Sep 5 2017 | ||||
| b1706060529b | Steve Plimpton/GitHub | Merge pull request #620 from amilumas/master | Sep 5 2017 | ||||
| 65b295e826aa | Steve Plimpton/GitHub | Merge pull request #638 from jdevemy/master | Sep 5 2017 | ||||
| 89a0bc947f01 | Steve Plimpton | small update to docs for new commands | Sep 5 2017 | ||||
| c8967a335f26 | Oliver Henrich | Included hyperlink to package | Sep 5 2017 | ||||
| 2105145f55e6 | Oliver Henrich | More minor changes | Sep 5 2017 | ||||
| f7715ab6ce3c | Oliver Henrich | Added comment about optimised damping coefficient for BD | Sep 5 2017 | ||||
| 12fe614ddf58 | Oliver Henrich | Added sequence-dependent stacking and base-pairing strength | Sep 5 2017 | ||||
| 0b5a2e199ddb | Richard Berger | Add way of getting correct ctypes integer type for bigint, tagint, and imageint | Sep 5 2017 | ||||
| 09bb687918e6 | Richard Berger | Correct indentation | Sep 5 2017 | ||||
| bb3ee752e5e9 | Richard Berger | Added optional numpy access to atom data | Sep 5 2017 | ||||
| 6b2d321d1899 | Richard Berger | Add missing globals in library interface | Sep 5 2017 | ||||
| 2b9646097c86 | Steve Plimpton | Merge branch 'master' of github.com:lammps/lammps | Sep 1 2017 | ||||
| f58088ae619d | Steve Plimpton | patch 1Sep17 | Sep 1 2017 | ||||
| 397bc225b27c | Axel Kohlmeyer | add temper/npt to src/USER-MISC/README | Aug 31 2017 | ||||
| d9d9ba824474 | Axel Kohlmeyer | update .gitignore | Aug 31 2017 | ||||
| eba4be18c29a | Axel Kohlmeyer | adapt formatting and naming conventions to fully match LAMMPS style. allow… | Aug 31 2017 | ||||
| 4d2ed30b3526 | Axel Kohlmeyer | add reference outputs to temper/npt example | Aug 31 2017 | ||||
| f3dda30f8ef3 | Axel Kohlmeyer | fully integrate temper/npt command into manual | Aug 31 2017 | ||||
| d95a5f219e69 | Stan Moore | Remove all thread fences except one in verlet_kokkos | Aug 31 2017 | ||||
| a5b65c1af48c | Julien Devemy | Mods for extra/special/per/atom and add toluene | Aug 31 2017 | ||||
| 3e6cdd140011 | Tim Mattox | USER-DPD: finish renaming #ifdef DEBUG_PAIR_CT to DEBUG_SSA_PAIR_CT | Aug 30 2017 | ||||
| dc7f1281b832 | Tim Mattox | USER-DPD: Kokkos version of Const Temperature DPD isn't implemented yet | Aug 30 2017 | ||||
| 27c962dc3b81 | Christoph Junghans | link cuda in gpu only, remove duplicated incl. dir | Aug 30 2017 | ||||
| 2dd202cc761d | Tim Mattox | USER-DPD: remove some out-of-date FIXME comments in fix_shardlow_kokkos.cpp | Aug 30 2017 | ||||
| f2d8c37f27b1 | Tim Mattox | Rename SSA specific debug #ifdef to DEBUG_SSA_PAIR_CT | Aug 30 2017 | ||||
| a4a45f1d9cfb | Stan Moore | Remove unnecessary check in npair_kokkos | Aug 30 2017 | ||||
| f57d19492051 | Amulya/GitHub | Add files via upload | Aug 29 2017 | ||||
| 34b3fc21572c | Richard Berger | Fix GPU CMake compilation | Aug 29 2017 | ||||
| 098861375bf0 | Christoph Junghans | SOVERSION not needed for STATIC libs | Aug 29 2017 | ||||
| 19b77857dc3e | Christoph Junghans | fix Fortran flags for MEAM | Aug 28 2017 | ||||
| bd9dc4886d89 | Christoph Junghans | cmake: README is markdown | Aug 28 2017 | ||||
| 9207f6540e84 | Christoph Junghans | fix liblammps install | Aug 28 2017 | ||||
| 736e063971bc | Tim Mattox | Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge | Aug 28 2017 | ||||
| 62928a16377b | Christoph Junghans | make GPU flags local to libgpu | Aug 28 2017 | ||||
| c8dfe0c3de6f | Christoph Junghans | drop BUILD_SHARED_PKG_LIBS and make all pkglibs static | Aug 28 2017 | ||||
| 6a4bbddb3b7a | Amulya/GitHub | Add files via upload | Aug 28 2017 | ||||
| 2add18e013dd | Amulya/GitHub | Create in.temper_npt | Aug 28 2017 |
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