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History Graph
Commit | Author | Details | Committed | ||||
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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 | ||||
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 | ||||
c8aa06b959e9 | Christoph Junghans | cmake: build libs separate | Aug 21 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 | ||||
60e14f14906c | Axel Kohlmeyer | add comment to msi2lmp README about symmetry limitations | Aug 14 2017 | ||||
81e7d4a94259 | Axel Kohlmeyer | fix incorrect preprocessor define for windows | Aug 12 2017 | ||||
0b3f1b8a156d | Steve Plimpton | patch 11Aug17 | Aug 11 2017 | ||||
b209a4e246b5 | Steve Plimpton/GitHub | Merge pull request #614 from akohlmey/fixes-for-stable | Aug 11 2017 | ||||
27553283c30e | Axel Kohlmeyer | fix bug with pair_modify <style> compute not triggering the correct global… | Aug 11 2017 | ||||
df56b2d6a43a | Axel Kohlmeyer | trigger relink after package library build through updating the time stamp on… | Aug 11 2017 | ||||
c6d923b6c889 | Axel Kohlmeyer | make download function more resilient by also catching failed execution | Aug 11 2017 | ||||
6d24be8bb70f | Axel Kohlmeyer | whitespace cleanup | Aug 11 2017 | ||||
52bec0f380dd | Steve Plimpton | patch 10Aug17 | Aug 11 2017 | ||||
8c16ea1bfca5 | Axel Kohlmeyer | add automatic triggering of review requests with a code owners file | Aug 10 2017 | ||||
c8741f3a01a2 | Axel Kohlmeyer | remove special_bonds extra keyword and refer to read_data and create_box instead | Aug 10 2017 | ||||
2a7d2dee3652 | Axel Kohlmeyer | add more strict checking of data when parsing molecule files to detect format… | Aug 10 2017 | ||||
f68c6254d48d | Steve Plimpton/GitHub | Merge pull request #611 from akohlmey/final-tweaks | Aug 10 2017 | ||||
da01be7c1857 | Giacomo Fiorin | More robust change from initial to target restraint centers in Colvars | Aug 10 2017 | ||||
146aa4cdbdd3 | Axel Kohlmeyer | fall back to wget when curl is not available | Aug 10 2017 | ||||
2f3747eb6e6c | Axel Kohlmeyer | we need to override compiler flags in lib/voronoi/Install.py | Aug 10 2017 | ||||
2bc6ad80d404 | Axel Kohlmeyer | avoid writable string and deprecated implicit conversion warning | Aug 10 2017 | ||||
f9a515efd37d | Axel Kohlmeyer | add some remarks about makefile settings on windows | Aug 10 2017 | ||||
5b557442093c | Axel Kohlmeyer | fix a header line formatting issue | Aug 10 2017 | ||||
0dc3cbaa8acc | Axel Kohlmeyer | Revert "remove -DLAMMPS_MEMALIGN from "make mpi" and "make serial" for… | Aug 10 2017 | ||||
ce62c41252f6 | Axel Kohlmeyer | when recomputing special bonds, make certain we do not shrink atom->maxspecial… | Aug 10 2017 | ||||
4e97b5750873 | Axel Kohlmeyer | remove -DLAMMPS_MEMALIGN from "make mpi" and "make serial" for increased… | Aug 10 2017 | ||||
7f437d769036 | Steve Plimpton/GitHub | Merge pull request #609 from akohlmey/doc-changes-for-stable | Aug 10 2017 | ||||
77a628e4effe | Axel Kohlmeyer | make the deprecation warning nicer looking | Aug 10 2017 | ||||
f01103dd0885 | Axel Kohlmeyer | correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS… | Aug 10 2017 | ||||
81f4d7ecb535 | Axel Kohlmeyer | rework section 4 (Packages) in the manual to match Install.py scripts | Aug 10 2017 | ||||
210a77c5a0ea | Axel Kohlmeyer | add a deprecation warning to pair style meam and make the reax one consistent… | Aug 9 2017 | ||||
3e9b41c6b74d | Trung Nguyen | Added references to GPU package citations | Aug 9 2017 | ||||
6780c7390736 | Axel Kohlmeyer | restore mpic++ makefile to resolve regression test failure | Aug 9 2017 | ||||
be25a7d9a424 | Axel Kohlmeyer | updated comment for fix neb by steve | Aug 9 2017 | ||||
691d1b730dce | Steve Plimpton/GitHub | Merge pull request #607 from akohlmey/final-changes-for-stable | Aug 9 2017 | ||||
95ece8a6c01c | Axel Kohlmeyer | consistently use $(PYTHON) in the master makefile (which defaults to "python") | Aug 8 2017 | ||||
b7b1257b0146 | Axel Kohlmeyer | remove attempts to use urllib and use curl for all downloading. restore… | Aug 8 2017 | ||||
30431d4edb77 | Axel Kohlmeyer | rework Install.py for gpu library. make it consistent with other lib folders… | Aug 8 2017 | ||||
8a7a831bd6c0 | Stan Moore | Remove redundant check in Makefile.kokkos | Aug 8 2017 | ||||
c53a84a967c0 | Axel Kohlmeyer | update README file for lib/mscg | Aug 8 2017 | ||||
b7b62f6893c2 | Axel Kohlmeyer | do not pollute global namespace by including mscg header in fix header | Aug 8 2017 | ||||
d2b0c287d26e | Axel Kohlmeyer | add local makefile overrides to be compatible with standard suffixes | Aug 8 2017 | ||||
b3244f9c9807 | Axel Kohlmeyer | more lib compilation updates | Aug 8 2017 | ||||
8bba29d91e11 | Axel Kohlmeyer | more lib installation cleanup | Aug 7 2017 | ||||
135b1650f11c | Axel Kohlmeyer | revamp of library builds | Aug 7 2017 | ||||
0a54c34e34c2 | Steve Plimpton/GitHub | Merge pull request #600 from akohlmey/install-and-docs-reviewed | Aug 7 2017 | ||||
a8f6a95cba50 | Steve Plimpton/GitHub | Merge pull request #605 from rbberger/bash_on_windows | Aug 7 2017 | ||||
e0f9a7c34c39 | Richard Berger | Adds BOW tutorial link in main menu | Aug 7 2017 | ||||
aaf17bde3ff9 | Richard Berger | Added tutorial for using LAMMPS in Bash on Windows | Aug 7 2017 | ||||
5ad8a3332dfc | Axel Kohlmeyer/GitHub | Merge pull request #55 from GarrettTow/patch-1 | Aug 5 2017 | ||||
ca7a3a6316dd | GarrettTow/GitHub | Fixed typo in "compute_voronoi_atom.txt" | Aug 4 2017 | ||||
163ed276181a | Axel Kohlmeyer | update .gitignore | Aug 4 2017 | ||||
23ca0099f7ab | Axel Kohlmeyer | more updates to kim/Install.py to restore missing functionality and align with… | Aug 4 2017 | ||||
59ac6ef57357 | Axel Kohlmeyer | correct a link and a name for OpenKIM | Aug 4 2017 | ||||
2fa16bcd4ca9 | Axel Kohlmeyer | make overlapping links to references unique to avoid anchor label errors | Aug 4 2017 | ||||
e84b6d806704 | sjplimp/GitHub | Merge pull request #602 from rbberger/pylammps_fixes | Aug 4 2017 | ||||
96d37128170f | Richard Berger | Add missing link flag | Jul 31 2017 | ||||
b395ef00b446 | Richard Berger | Update tutorial_pylammps.txt | Jul 31 2017 | ||||
d3169eeab3e7 | Richard Berger | Remove Make.py reference in PyLammps examples | Jul 31 2017 | ||||
71553cf7328e | Richard Berger | Fix PyLammps regression after output.cpp change | Jul 31 2017 | ||||
93190a548a4a | Richard Berger | Merge branch 'cmake' of github.com:junghans/lammps into cmake | Jul 31 2017 | ||||
72f50c91ee01 | Richard Berger | Add -DLAMMPS_EXCEPTIONS flag | Jul 31 2017 | ||||
408d9d99a946 | Christoph Junghans | cmake: improve some error messages | Jul 31 2017 | ||||
8431ca5fecbc | Stan Moore | Remove tpls directory | Jul 31 2017 | ||||
13f2d39f55b1 | Stan Moore | Update Kokkos library to v2.03.13 | Jul 31 2017 | ||||
9bfd9267fabb | Axel Kohlmeyer | update and automate the QUIP configuration so that no environment variables are… | Jul 28 2017 | ||||
7d0d701eaf09 | Axel Kohlmeyer | add reference outputs for QUIP/GAP example | Jul 28 2017 | ||||
841a92c7fada | Axel Kohlmeyer | remove unused variable | Jul 28 2017 | ||||
85120842dd84 | Axel Kohlmeyer | update QUIP examples to closer match typical LAMMPS examples | Jul 28 2017 | ||||
3ebf561e0dea | Axel Kohlmeyer | remove tarball after unpacking | Jul 28 2017 | ||||
ffb778cf9b25 | Axel Kohlmeyer | make Install.py for lib/smd and lib/voronoi consistent | Jul 28 2017 | ||||
f3850da9fe9d | Axel Kohlmeyer | clean up makefiles provide "serial" and "mpi" targets for atc and awpmd | Jul 28 2017 | ||||
e7d9aabca6ba | Axel Kohlmeyer | Merge branch 'kim-install' into install-and-docs-reviewed | Jul 28 2017 | ||||
e3973796bacc | Axel Kohlmeyer | fix bug in power operator in LAMMPS variable expressions | Jul 27 2017 | ||||
c494ec35e242 | Axel Kohlmeyer | correct symbolic links to shared Install.py file | Jul 27 2017 | ||||
6d0a2286240a | sjplimp/GitHub | Merge pull request #599 from lammps/kim-doc | Jul 27 2017 |
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