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History Graph
History Graph
Commit | Author | Details | Committed | ||||
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40ae6f215bb7 | Ulf R. Pedersen/GitHub | add the usual LAMMPS copyright | Oct 3 2017 | ||||
4dcc49ebe2c3 | Ulf R. Pedersen/GitHub | Delete fix_rhok.cpp | Oct 3 2017 | ||||
fe14eeccac97 | Ulf R. Pedersen/GitHub | Delete fix_rhok.h | Oct 3 2017 | ||||
9dc42fd4db71 | Michael Brown | intel_simd.h is currently also needed by dihedral/charmm, not just sw. | Oct 3 2017 | ||||
5e8926963126 | Michael Brown | Minor adjustments to intel makefiles and documentation based on the reversed… | Oct 3 2017 | ||||
11eed234f08a | Axel Kohlmeyer | include dump cfg/uef in commands toctree | Oct 3 2017 | ||||
af1fc45db0b3 | David Nicholson | added citation to doc | Oct 3 2017 | ||||
b34109af602f | David Nicholson | formatting changes | Oct 3 2017 | ||||
1dffb0cf82ad | David Nicholson | reran npt_biaxial examples | Oct 3 2017 | ||||
588b2534c9b0 | David Nicholson | Minor fix for FixNHUef constructor | Oct 3 2017 | ||||
d2aa05cb3661 | Axel Kohlmeyer | update README in USER-INTEL for recent LRT logic reversal | Oct 3 2017 | ||||
466fde6443bf | Axel Kohlmeyer | update documentation for the reversal in the INTEL_MKL_RNG define | Oct 3 2017 | ||||
2a24cbfe0c2f | Axel Kohlmeyer | reverse logic for using MKL pRNG: this way, make serial and make mpi will… | Oct 3 2017 | ||||
00aef0fe0014 | Axel Kohlmeyer | rerun logfiles for USER-UEF example inputs | Oct 2 2017 | ||||
92d9b361fcda | Axel Kohlmeyer | include USER-UEF styles in PDF version of manual | Oct 2 2017 | ||||
8acdc8020d9a | Axel Kohlmeyer | add USER-UEF classes to .gitignore | Oct 2 2017 | ||||
cc09a633a2bc | Axel Kohlmeyer | small code refactor for FixNHUef class | Oct 2 2017 | ||||
81be9b37de9c | Axel Kohlmeyer | formatting, whitespace and include file/constants cleanup | Oct 2 2017 | ||||
0c7879e90243 | Axel Kohlmeyer | provide compatibility entries in FixNH option parsing for new USER-UEF package | Oct 2 2017 | ||||
8d384b9149c7 | Axel Kohlmeyer | whitespace cleanup | Oct 2 2017 | ||||
529eeb603923 | Stan Moore | Reduce GPU data transfer | Oct 2 2017 | ||||
cf24dd026520 | Michael Brown | Adding pair style dpd/intel and dihedral style fourier/intel Adding raw… | Oct 2 2017 | ||||
a7b0d1f521af | Lars Pastewka | DOC: Corrected syntax for appending at certain frame (NetCDF only) | Oct 1 2017 | ||||
fbe42cda2d24 | Lars Pastewka | MAINT: Only set append flag when not in multifile mode. | Oct 1 2017 | ||||
da7be99cc4a3 | Lars Pastewka | DOC: Added multi file example. | Oct 1 2017 | ||||
56d21bfb057b | Lars Pastewka | MAINT: Removed obsolete prmtop writer. | Oct 1 2017 | ||||
100231bba8f1 | Lars Pastewka | ENH: Enable multi file writes. | Oct 1 2017 | ||||
84378f8ae27f | Lars Pastewka | MAINT: Renamed _put_var1_x to _put_var1_bigint | Oct 1 2017 | ||||
6e342d2e45dc | Lars Pastewka | MAINT: bigint (int64) maps onto either long or long long, depending on platform. | Oct 1 2017 | ||||
091d0580904a | Richard Berger | Fix typo | Sep 30 2017 | ||||
4c71beb02409 | Axel Kohlmeyer | cleanup/simplification of compilation for fix phonon analysis tool "phana" | Sep 30 2017 | ||||
a86572f4fcb4 | Stan Moore | Reduce memory churn in Kokkos package | Sep 30 2017 | ||||
4524b0fa83fa | David Nicholson | rename arg_kludge to uef_arg_kludge | Sep 29 2017 | ||||
4ef63feea7d3 | David Nicholson | reran examples | Sep 29 2017 | ||||
9f2740b7f18f | Stan Moore | Partially revert 01d0a5c, avoid atomics, safe because of the while loop. Worst… | Sep 29 2017 | ||||
2a06b75af84c | David Nicholson | doc revisions | Sep 29 2017 | ||||
d7aac2fed53c | Stan Moore | Add sync/modify to nbin_kokkos | Sep 29 2017 | ||||
d898afaafb7a | Axel Kohlmeyer | use <> for system includes not "" | Sep 29 2017 | ||||
c66ddf9ac0e8 | Ulf R. Pedersen/GitHub | Update fix_rhok.txt | Sep 29 2017 | ||||
a64040ce2d4f | David Nicholson | citeme | Sep 29 2017 | ||||
480b087c9392 | David Nicholson | doc edits, README, and citeme | Sep 29 2017 | ||||
0029583463c1 | David Nicholson | doc edits i missed in earlier commit | Sep 28 2017 | ||||
c0f1a326616a | David Nicholson | fixed namespace issue | Sep 28 2017 | ||||
80898b86959c | David Nicholson | first draft of doc done | Sep 28 2017 | ||||
855b6000efcb | David Nicholson | initial commit. doc is in the works | Sep 28 2017 | ||||
285a123c904d | Ulf R. Pedersen/GitHub | Update fix_rhok.cpp | Sep 28 2017 | ||||
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 | ||||
23e283f13551 | Anders Hafreager | Fixed proper deletion of fixes if fix is NULL | Sep 27 2017 | ||||
de45fa6e7107 | Axel Kohlmeyer | correct bogus links in LATTE docs | Sep 27 2017 | ||||
bfdc4acb8bbe | Axel Kohlmeyer | add missing entry for pdf version of manual | Sep 26 2017 | ||||
fd3ecd048120 | Axel Kohlmeyer | fix typo in formatting | Sep 26 2017 | ||||
8bba6d3e8c63 | Axel Kohlmeyer | correct formatting and broken/colliding link issues with LATTE package related… | Sep 26 2017 | ||||
53e4ee4f2dc9 | Axel Kohlmeyer | need to re-init timers after initial setup | Sep 26 2017 | ||||
b60cff7e7773 | Axel Kohlmeyer | USER-OMP package depends on USER-DRUDE | Sep 26 2017 | ||||
38530415c8f0 | Axel Kohlmeyer | -ltbbmalloc is required | Sep 26 2017 | ||||
0573aaa6da3a | Axel Kohlmeyer | update src/.gitignore for LATTE package | Sep 26 2017 | ||||
e6969002ce55 | Axel Kohlmeyer | having plain filelink instead of filelink.o confuses KOKKOS linking with nvcc | Sep 26 2017 | ||||
836a6d292c10 | Axel Kohlmeyer | whitespace fixes, silence compiler warning about too few format specifiers | Sep 25 2017 | ||||
32e0de7a67a1 | Tim Mattox | first pass at implementing atom2bin for KOKKOS neighbor lists | Sep 25 2017 | ||||
789812ec3dce | Tim Mattox | KOKKOS: minor typo fix | Sep 25 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 | ||||
78a486c0fdfe | Julien Devemy | Authorize hybrid/overlay for fix srp | Sep 25 2017 | ||||
f2c1172741b5 | Steve Plimpton | patch 22Sep17 | Sep 22 2017 | ||||
d6316c40d94e | Christoph Junghans | cmake: fix build with system latte | 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 |
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