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Merge remote-tracking branch 'origin/master' into latte

Authored by Christoph Junghans <junghans@lanl.gov> on Sep 16 2017, 00:18.

Description

Merge remote-tracking branch 'origin/master' into latte

Event Timeline

Christoph Junghans <junghans@lanl.gov> committed rLAMMPS17aeccf19f3f: Merge remote-tracking branch 'origin/master' into latte (authored by Christoph Junghans <junghans@lanl.gov>).Sep 16 2017, 00:18

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
d101fe3e79fdSteve Plimpton/GitHub
Merge pull request #649 from akohlmey/fix-virial-aidan 
Sep 15 2017
27f99534ecc4Steve Plimpton/GitHub
Merge pull request #654 from giacomofiorin/colvars-small-fix 
Sep 15 2017
5f6937daddcbSteve Plimpton/GitHub
Merge pull request #653 from jdevemy/master 
Sep 15 2017
3b39694f2386Steve Plimpton/GitHub
Merge pull request #628 from lammps/cmake_improvements 
Sep 15 2017
99e5dc710461Axel Kohlmeyer
add support for fix_modify virial yes to fix smd 
Sep 15 2017
ccb67d8dc511Axel Kohlmeyer
correct cut-n-paste errors in the documentation of fix_modify virial 
Sep 15 2017
2cd7cbd96415Axel Kohlmeyer
correct cut-n-paste error, add docs 
Sep 15 2017
8776b8103337Axel Kohlmeyer
add virial support to fix addforce 
Sep 15 2017
f1fce64ff9dfGiacomo Fiorin
Fix small typo to calculation of accumulated work in Colvars 
Sep 14 2017
da7776f818b8Julien Devemy
Bugfix for the limit keyword 
Sep 14 2017
f971cd6e4510Steve Plimpton/GitHub
Merge pull request #647 from rbberger/gpu_opencl_2 
Sep 12 2017
0cb3a3821ffbSteve Plimpton/GitHub
Merge pull request #644 from akohlmey/collected-small-fixes 
Sep 12 2017
e927794696f8Steve Plimpton/GitHub
Merge pull request #643 from andeplane/gpu_opencl_compile_fix 
Sep 12 2017
e196a2b9e54aAxel Kohlmeyer
import changes to various fixes by aidan to include virial contributions 
Sep 12 2017
cb19ef547e0dAxel Kohlmeyer
update src/.gitignore 
Sep 12 2017
95d849285345Axel Kohlmeyer
the original fix qeq went away over 7 years ago, we don't need to purge it 
Sep 12 2017
b3547a9eca79Axel Kohlmeyer
add infrastructure for enabling fixes to contribute to the virial by aidan 
Sep 11 2017
84b84c10db1bRichard Berger
Use OpenCL 2.x API in GPU package when supported 
Sep 10 2017
0be7f4675083Christoph Junghans
cmake: added USER-MESO 
Sep 9 2017
4738fedca32fChristoph Junghans
Merge remote-tracking branch 'origin/master' into cmake_improvements 
Sep 9 2017
1601433ca1e5Christoph Junghans
cmake: fix lib suffix 
Sep 9 2017
3fdb6f10fac8Christoph Junghans
cmake: OpenCL is always found if required 
Sep 9 2017
ff18cff46bfeRichard Berger
Merge branch 'cmake_pkg_libs' into cmake_improvements 
Sep 9 2017
8a06a7bc6bfeRichard Berger
Add OpenCL support to CMake build 
Sep 9 2017
de8297ea194bAxel Kohlmeyer
recover ability to compile USER-INTEL without OpenMP enabled 
Sep 6 2017
fe557cb882e2Axel Kohlmeyer
fix typo in commands table 
Sep 6 2017
dbc60d949f56Anders Hafreager
Fixed OpenCL compilation issues with __global keywords 
Sep 6 2017
27c962dc3b81Christoph Junghans
link cuda in gpu only, remove duplicated incl. dir 
Aug 30 2017
34b3fc21572cRichard Berger
Fix GPU CMake compilation 
Aug 29 2017
098861375bf0Christoph Junghans
SOVERSION not needed for STATIC libs 
Aug 29 2017
19b77857dc3eChristoph Junghans
fix Fortran flags for MEAM 
Aug 28 2017
bd9dc4886d89Christoph Junghans
cmake: README is markdown 
Aug 28 2017
9207f6540e84Christoph Junghans
fix liblammps install 
Aug 28 2017
62928a16377bChristoph Junghans
make GPU flags local to libgpu 
Aug 28 2017
c8dfe0c3de6fChristoph Junghans
drop BUILD_SHARED_PKG_LIBS and make all pkglibs static 
Aug 28 2017
f47cc0aab551Christoph Junghans
simpilfy pkg lib build 
Aug 28 2017
57872c8b60beChristoph Junghans
drop INSTALL_LIB option 
Aug 28 2017
4bff0087779dChristoph Junghans
enable PIC globally 
Aug 28 2017
153c771a6ddcRichard Berger
Use PIC in mpi_stubs when BUILD_SHARED_LIBS=on 
Aug 27 2017
313b8bc2fad0Richard Berger
build lib/gpu as a library 
Aug 27 2017
5308ee67fa37Christoph Junghans
fix shared build and mscg install 
Aug 27 2017
c196025ea958Christoph Junghans
make molfile less special 
Aug 27 2017
bc1186898697Christoph Junghans
cmake: fixed a typo 
Aug 27 2017
e4415735f2e5Christoph Junghans
check for '-fno-second-underscore' 
Aug 27 2017
98f27162ba6aChristoph Junghans
make libmpi_stubs 
Aug 27 2017
bdc117bf1089Christoph Junghans
cmake: convert mscg into a lib 
Aug 27 2017
b7ec720f91fcChristoph Junghans
link QUIP against LAPACK_LIB too 
Aug 27 2017
47f16c0d70b3Christoph Junghans
cmake: move shared libs install warning in one place 
Aug 27 2017
76926b7fcf98Richard Berger
Compile linalg as library and track link dependencies for correct link order 
Aug 27 2017
67ae2719a877Richard Berger
Simplify lib build by using target_include_directories 
Aug 27 2017