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lammm-devel
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 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 | ||||
| f47cc0aab551 | Christoph Junghans | simpilfy pkg lib build | Aug 28 2017 | ||||
| 57872c8b60be | Christoph Junghans | drop INSTALL_LIB option | Aug 28 2017 | ||||
| 4bff0087779d | Christoph Junghans | enable PIC globally | Aug 28 2017 | ||||
| 153c771a6ddc | Richard Berger | Use PIC in mpi_stubs when BUILD_SHARED_LIBS=on | Aug 27 2017 | ||||
| 313b8bc2fad0 | Richard Berger | build lib/gpu as a library | Aug 27 2017 | ||||
| 5308ee67fa37 | Christoph Junghans | fix shared build and mscg install | Aug 27 2017 | ||||
| c196025ea958 | Christoph Junghans | make molfile less special | Aug 27 2017 | ||||
| bc1186898697 | Christoph Junghans | cmake: fixed a typo | Aug 27 2017 | ||||
| e4415735f2e5 | Christoph Junghans | check for '-fno-second-underscore' | Aug 27 2017 | ||||
| 98f27162ba6a | Christoph Junghans | make libmpi_stubs | Aug 27 2017 | ||||
| bdc117bf1089 | Christoph Junghans | cmake: convert mscg into a lib | Aug 27 2017 | ||||
| b7ec720f91fc | Christoph Junghans | link QUIP against LAPACK_LIB too | Aug 27 2017 | ||||
| 47f16c0d70b3 | Christoph Junghans | cmake: move shared libs install warning in one place | Aug 27 2017 | ||||
| 76926b7fcf98 | Richard Berger | Compile linalg as library and track link dependencies for correct link order | Aug 27 2017 | ||||
| 67ae2719a877 | Richard Berger | Simplify lib build by using target_include_directories | Aug 27 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 | ||||
| c5ccbbeea756 | Christoph Junghans | cmake: fix 'make test' | Aug 22 2017 | ||||
| e2a1b666be83 | Richard Berger | Merge remote-tracking branch 'junghans/cmake_flags_summary' into… | Aug 22 2017 | ||||
| ad0ecfa5070b | Richard Berger | Merge remote-tracking branch 'junghans/lammps_suffix' into cmake_improvements | Aug 22 2017 | ||||
| cf3f15b0a5b3 | Christoph Junghans | cmake: make h5md includes local | Aug 21 2017 | ||||
| 5fcc19777c07 | Christoph Junghans | cmake: fix molfile compile | Aug 21 2017 | ||||
| 1f4c550f9fab | Christoph Junghans | cmake: make awpmd includes local | Aug 21 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 | ||||
| c8aa06b959e9 | Christoph Junghans | cmake: build libs separate | Aug 21 2017 | ||||
| bdccdbf2c20f | Christoph Junghans | cmake: make linker flags more clear | Aug 21 2017 | ||||
| 6d86697b3ff3 | Christoph Junghans | cmake: move option in user options block | Aug 21 2017 | ||||
| d1a0c040c9f8 | Axel Kohlmeyer | add initializers for nmatch/nwant variables in molecule file parser | Aug 21 2017 | ||||
| 892a3f860922 | Christoph Junghans | cmake: make _ in LAMMPS_MACHINE implicit | Aug 20 2017 | ||||
| de5883b7bb81 | Christoph Junghans | cmake: LAMMPS_SUFFIX -> LAMMPS_MACHINE | Aug 20 2017 | ||||
| b1615d183959 | Christoph Junghans | cmake: print flag summary | Aug 20 2017 | ||||
| aef2416ece3f | Richard Berger | Simplify CMake script | Aug 20 2017 | ||||
| 00a78cfa1a98 | Christoph Junghans | cmake: add LAMMPS_SUFFIX | Aug 20 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 | ||||
| c9d41dbb47e4 | Richard Berger | Ignore installed package files when using cmake | Aug 19 2017 | ||||
| 1a80d4bc1346 | Richard Berger | Remove style files in src dir while running cmake | Aug 19 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 | ||||
| bf7cff73d42a | Axel Kohlmeyer | allocate the temporary special array on the heap and not the stack (it may get… | Aug 18 2017 | ||||
| 9e85b3178a14 | jrgissing | molecule maxspecial value corrected when specials autogenerated | Aug 18 2017 | ||||
| b11fe2eddb93 | Steve Plimpton/GitHub | Merge pull request #573 from junghans/cmake | Aug 18 2017 | ||||
| 7ddcb6812b44 | Steve Plimpton | patch 17Aug17 | Aug 18 2017 | ||||
| 76cd61350d4c | Steve Plimpton/GitHub | Merge pull request #613 from akohlmey/collected-small-changes | Aug 17 2017 | ||||
| fa3c0c61d6a8 | Steve Plimpton/GitHub | Merge pull request #618 from lammps/intel | Aug 17 2017 | ||||
| c46d5ff422c2 | Steve Plimpton/GitHub | Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 | Aug 17 2017 | ||||
| dd67989c7675 | Steve Plimpton/GitHub | Merge pull request #601 from stanmoore1/kokkos_update | Aug 17 2017 | ||||
| 00aafef1a851 | Steve Plimpton/GitHub | Merge pull request #597 from ndtrung81/three-body-short-nlist | Aug 17 2017 | ||||
| 7175abcc7170 | Axel Kohlmeyer | flag more pair styles as supporting USER-INTEL to match newly added code | Aug 16 2017 | ||||
| e34b20405c28 | Axel Kohlmeyer/GitHub | Fix a couple of typos in the docs | Aug 16 2017 | ||||
| 1d4d2155a23b | Steve Plimpton | USER-INTEL add-ons from Mike | Aug 16 2017 | ||||
| cee87d7a54b5 | Axel Kohlmeyer | update manual to point to packages.lammps.org instead of rpm.lammps.org | Aug 15 2017 |
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