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History Graph
Commit | Author | Details | Committed | ||||
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0f52dd7c5f29 | Ulf R. Pedersen/GitHub | Update fix_rhok.h | Sep 28 2017 | ||||
10d1741e7f08 | Ulf R. Pedersen/GitHub | Update fix_rhok.txt | Sep 28 2017 | ||||
d11733d3a0ee | Ulf R. Pedersen | typo in equation | Sep 28 2017 | ||||
348c4eb7f30c | Ulf R. Pedersen | add .cpp and .h to root src | Sep 28 2017 | ||||
75b3f34a582c | Ulf R. Pedersen | Update documentation | Sep 28 2017 | ||||
fe80c57bdef9 | Ulf R. Pedersen | more documentation | Sep 28 2017 | ||||
e49f0e396b60 | Ulf R. Pedersen/GitHub | Create fix_rhok.txt | Sep 28 2017 | ||||
37e55a825b31 | Ulf R. Pedersen/GitHub | Create fix_rhok.txt | Sep 28 2017 | ||||
67e48264d980 | Ulf R. Pedersen/GitHub | Update fix_rhok.cpp | Sep 28 2017 | ||||
4e1eeca869de | Ulf R. Pedersen/GitHub | Update fix_rhok.cpp | Sep 28 2017 | ||||
2fda04197201 | Ulf R. Pedersen/GitHub | Update fix_rhok.cpp | Sep 28 2017 | ||||
34c1adb4dd20 | Ulf R. Pedersen | Merge https://github.com/lammps/lammps | Sep 28 2017 | ||||
88a882b4575d | Ulf R. Pedersen | Added reference to fix rhok implimentation | Sep 25 2017 | ||||
f1aea57e300e | Ulf R. Pedersen/GitHub | Update readme.md | Sep 25 2017 | ||||
b35f2ff8b44b | Ulf R. Pedersen | Example of Interface Pinning Computation | Sep 25 2017 | ||||
4beccf508f9c | Ulf R. Pedersen | Move fix to USER-MISH | Sep 25 2017 | ||||
f2c1172741b5 | Steve Plimpton | patch 22Sep17 | Sep 22 2017 | ||||
bcde318ccb0f | Steve Plimpton/GitHub | Merge pull request #659 from stanmoore1/kk_border_comm | Sep 22 2017 | ||||
3ed39ca844ba | Stan Moore | Make Kokkos comm give warning and switch to classic comm instead of erroring out | Sep 22 2017 | ||||
ee487ef4aa4f | Steve Plimpton/GitHub | Merge pull request #652 from junghans/latte | Sep 22 2017 | ||||
a8ae8866676e | Steve Plimpton | update fix latte examples and virial | Sep 21 2017 | ||||
fe8244c1c232 | Ulf R. Pedersen | Rename fix | Sep 21 2017 | ||||
3381a4337887 | Ulf R. Pedersen | Added readme.m | Sep 21 2017 | ||||
73708b091c42 | Ulf R. Pedersen | Added readme file, and removed old files | Sep 21 2017 | ||||
9a9af2ca5e67 | Ulf R. Pedersen/GitHub | Delete README | Sep 21 2017 | ||||
491d5f341083 | Ulf R. Pedersen | Added USER-PINNING package | Sep 21 2017 | ||||
5e35ab251b23 | Christian Negre | fixed sucrose | Sep 21 2017 | ||||
d708e34ba6d4 | Christoph Junghans | cmake: download/build latte if not found | Sep 20 2017 | ||||
638b91bf74c1 | Steve Plimpton/GitHub | Merge pull request #657 from lammps/snap-potentials | Sep 20 2017 | ||||
ad25a9529758 | Axel Kohlmeyer | whitespace cleanup | Sep 20 2017 | ||||
e7d042ba1a0e | Axel Kohlmeyer | convert DOS/Windows CR-LF line endings to native format | Sep 20 2017 | ||||
dd49d54889a2 | Steve Plimpton | new SNAP potentials and examples | Sep 20 2017 | ||||
fbaa7ab8fa55 | Steve Plimpton/GitHub | Merge pull request #655 from akohlmey/fixes-for-patch | Sep 20 2017 | ||||
2e9803efb31d | Steve Plimpton/GitHub | Merge pull request #645 from akohlmey/kokkos-makefile-updates | Sep 20 2017 | ||||
59d2e13d48fe | Axel Kohlmeyer | add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other… | Sep 20 2017 | ||||
76d93f21dd9c | Steve Plimpton | add fix latte command to doc pages | Sep 20 2017 | ||||
ac897ea6457c | Steve Plimpton | LATTE package doc update and some small code changes | Sep 20 2017 | ||||
19f1f3a3e063 | Axel Kohlmeyer | correct USER-INTEL installer script for verlet_lrt_intel files | Sep 19 2017 | ||||
be96486d6668 | Axel Kohlmeyer | compile all objects in the GPU library with -fPIC for building shared object | Sep 19 2017 | ||||
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 |
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