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History Graph
Commit | Author | Details | Committed | ||||
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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 | ||||
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 | ||||
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 | ||||
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 | ||||
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 | ||||
736e063971bc | Tim Mattox | Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge | Aug 28 2017 | ||||
6a4bbddb3b7a | Amulya/GitHub | Add files via upload | Aug 28 2017 | ||||
2add18e013dd | Amulya/GitHub | Create in.temper_npt | Aug 28 2017 | ||||
d0efd3a422ab | Amulya/GitHub | Add files via upload | Aug 28 2017 | ||||
21893539cbca | Steve Plimpton/GitHub | Merge pull request #633 from lammps/doc-user-meso | Aug 26 2017 | ||||
dd101db79ced | Steve Plimpton/GitHub | Merge pull request #582 from stanmoore1/kk_changes | Aug 26 2017 | ||||
81ba181349d7 | Steve Plimpton | tweak an eq in USER-MESO, also allow neigh to be built w/out styles | Aug 26 2017 | ||||
e52a28f8afaf | Stan Moore | Update docs for Kokkos version of USER-DPD package | Aug 26 2017 | ||||
01dd0e173e51 | Stan Moore | Merge branch 'master' into USER-DPD_kokkos_merge | Aug 26 2017 | ||||
1f8c4f2c62df | Stan Moore | Remove hardcoded map variables and debug output | Aug 25 2017 | ||||
b73999ef215c | Stan Moore | Revert change to read_data.cpp | Aug 25 2017 | ||||
1e16fed9ab94 | Stan Moore | Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay | Aug 25 2017 | ||||
a062944de95e | Stan Moore | Fix execution space issues | Aug 25 2017 | ||||
a641289d5ba3 | Stan Moore | Must use atomics for GPUs in pair_exp6_rx_kokkos | Aug 25 2017 | ||||
6195b3c0f6d6 | Steve Plimpton/GitHub | Merge pull request #631 from akohlmey/small-fixes-and-updates | Aug 24 2017 | ||||
de0fdbed6c92 | Axel Kohlmeyer | moltemplate bugfix update | Aug 24 2017 | ||||
dea92fbf5221 | Axel Kohlmeyer | print write dump systen init warning only on MPI rank 0 | Aug 24 2017 | ||||
6db3bd87ee73 | Axel Kohlmeyer | correct typo in header formatting | Aug 23 2017 | ||||
e55fa9d320d3 | Stan Moore | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks | Aug 23 2017 | ||||
cbf3646806f9 | Stan Moore | Merge branch 'master' into USER-DPD_kokkos | Aug 23 2017 | ||||
f5a99dece766 | Stan Moore | Remove unnecessary thread fences | Aug 23 2017 | ||||
4784506ba907 | Stan Moore | Remove unused function in rand_pool_wrap_kokkos | Aug 23 2017 | ||||
270abff2a2a1 | Stan Moore | Fix compile error for CUDA in pair_exp6_rx_kokkos | Aug 23 2017 | ||||
b6c93f96cfe0 | Steve Plimpton/GitHub | Merge pull request #629 from stanmoore1/kokkos_update | Aug 23 2017 | ||||
7b7a5076d00a | Steve Plimpton/GitHub | Merge pull request #624 from akohlmey/compute-fragment | Aug 23 2017 | ||||
1536eb5de549 | Steve Plimpton/GitHub | Merge pull request #630 from akohlmey/moltemplate-update | Aug 23 2017 | ||||
f7a0a6eb7069 | Steve Plimpton/GitHub | Merge pull request #622 from akohlmey/collected-small-fixes | Aug 23 2017 | ||||
d80a6cbd317a | Steve Plimpton/GitHub | Merge pull request #621 from lammps/user-meso | Aug 23 2017 | ||||
c4b37039ab88 | Steve Plimpton/GitHub | Merge pull request #619 from jrgissing/molecule_maxspecial | Aug 23 2017 | ||||
b52efa28507f | Axel Kohlmeyer | add compatibility to NetCDF 4.3.3 as bundled with RHEL 7.x | Aug 23 2017 | ||||
e88ff8d6f932 | Axel Kohlmeyer | correct embedded help for GPU lib Install.py | Aug 23 2017 | ||||
97edf90a7389 | Axel Kohlmeyer | update fix qeq docs for the new, more flexible parameter file format | Aug 23 2017 | ||||
12150ffa7397 | Axel Kohlmeyer | add moltemplate version 2017-8-22 | Aug 23 2017 | ||||
57aafba7c3bd | Axel Kohlmeyer | remove old moltemplate version | Aug 23 2017 | ||||
cdfb1aa04375 | Axel Kohlmeyer | make links unique, fix doc format warnings and add entries to administrative… | Aug 23 2017 | ||||
b80752a40c56 | Axel Kohlmeyer | restore changes to read_data docs, that would have been lost due to merging an… | Aug 23 2017 | ||||
79d5ca669dcb | Axel Kohlmeyer | fix issues indicated by compiler warnings | Aug 23 2017 | ||||
26c15140be20 | Axel Kohlmeyer | add USER-MESO files to .gitignore | Aug 23 2017 | ||||
5c985946d58f | Stan Moore | Merge branch 'master' into USER-DPD_kokkos | Aug 22 2017 | ||||
090c792d9070 | Stan Moore | Update Kokkos library to v2.04.00 | Aug 22 2017 | ||||
24c00b1f7a20 | Axel Kohlmeyer | fix typo | Aug 21 2017 | ||||
5a0c3aea8ac1 | Axel Kohlmeyer | add a compute aggregate/atom, that combines the rules for compute cluster/atom… | Aug 21 2017 | ||||
d1a0c040c9f8 | Axel Kohlmeyer | add initializers for nmatch/nwant variables in molecule file parser | Aug 21 2017 | ||||
f5b8f722eee3 | Axel Kohlmeyer | remove non-portable non-ascii blanks from fix wall/ees docs | Aug 20 2017 | ||||
39e51df2c004 | Axel Kohlmeyer | add missing entry in pdf manual | Aug 20 2017 | ||||
c895df73d624 | Axel Kohlmeyer | skip over disabled bonds | Aug 20 2017 | ||||
4dc1195cd851 | Axel Kohlmeyer | add docs for compute fragment/atom | Aug 20 2017 | ||||
35fd82b60282 | Axel Kohlmeyer | trim unneeded includes | Aug 20 2017 | ||||
c5ce3ffe60e4 | Axel Kohlmeyer | use list of bonds per atom instead of bondlist, as that will work with shake as… | Aug 20 2017 | ||||
aa1ce09b1264 | Axel Kohlmeyer | more cleanup, checks and generalization of QEQ parameter file parsing | Aug 19 2017 | ||||
f945d4567d4f | Steve Plimpton | new USER-MESO package | Aug 19 2017 | ||||
44ccdb86df24 | Axel Kohlmeyer | add checks when reading QEQ parameter file to avoid segfaults and memory… | Aug 19 2017 | ||||
2e6a928aa315 | Axel Kohlmeyer | ignore file recently added to USER-INTEL | Aug 19 2017 | ||||
6f66e6c45445 | Axel Kohlmeyer | add new compute fragment/atom | Aug 19 2017 | ||||
822bffdfaeef | Amulya/GitHub | Merge pull request #1 from amilumas/temper_npt | Aug 18 2017 | ||||
6aa756968d40 | Amulya/GitHub | Temper_NPT and example | Aug 18 2017 | ||||
d671a04274f9 | Axel Kohlmeyer | whitespace cleanup | Aug 18 2017 |
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