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14940 Commits

Author SHA1 Message Date
Axel Kohlmeyer 4d34e55072 rename jpeg file, recreate tex file and fix typo in docs for dihedral style table/cut 2018-05-11 17:31:14 -04:00
julient31 437e854741 Commit JT 051118 before CEA 2018-05-11 15:24:26 -06:00
Christoph Junghans 4820cef5d4 cmake: USER-INTEL fix flags 2018-05-11 15:19:29 -06:00
Axel Kohlmeyer e7598eeec0 ignore new style sources in USER-MSIC 2018-05-11 16:17:00 -04:00
Christoph Junghans a5d29fa52e Merge remote-tracking branch 'origin/master' into cmake_intel 2018-05-11 14:13:30 -06:00
Axel Kohlmeyer 821ef0cf77 update documentation for dihedral style table/cut 2018-05-11 16:08:23 -04:00
Steve Plimpton 42f22a9723
Merge pull request #908 from akohlmey/coverity-scan-fixes 
Correct small bugs found by static code analysis
 2018-05-11 14:06:18 -06:00
Steve Plimpton 0d8110bc19
Merge pull request #903 from akohlmey/move-enums-to-headers 
Move enums that have to be consistent across files into a class
 2018-05-11 14:05:58 -06:00
Steve Plimpton 44c5e88e24
Merge pull request #902 from junghans/cmake 
CMake improvements
 2018-05-11 14:05:26 -06:00
Steven J. Plimpton 8d24101df4 patch 11May18 2018-05-11 14:04:49 -06:00
Axel Kohlmeyer 308dac6821 fix force->bounds() bug and remove dead code 2018-05-11 15:54:51 -04:00
Christoph Junghans 944dab1351 USER-INTEL: enforce icc and add icc flags 2018-05-11 11:53:34 -06:00
Axel Kohlmeyer c3cc07bd3d truncate filename path to a segment starting with 'src/' 
this will trim warnings and error messages when compiling using the CMake
build system, which uses full paths. as a bonus,one can now see, if a
source is taken from a package or not.
 2018-05-11 13:52:34 -04:00
Christoph Junghans c50258e89c cmake: ENABLE -> PKG for packages 2018-05-11 07:51:59 -06:00
Steven J. Plimpton 9674512997 new dihedral table/cut command 2018-05-11 07:36:40 -06:00
Axel Kohlmeyer f864584bce correct small bugs found by coverity scan static code analysis 
- in fix rigid, rigid/small, and poems, a string argument was
  incorrectly assigned to a %d format
- plug two small memory leaks in fix bond/react
 2018-05-11 00:43:09 -04:00
Axel Kohlmeyer 075598b405 port dump_modify maxfiles option to COMPRESS and MPIIO package 2018-05-10 23:44:27 -04:00
Axel Kohlmeyer 7780d92823 implement 'dump_modify maxfiles' feature as discussed 2018-05-10 23:25:26 -04:00
Christoph Junghans 66caf1c1a3 cmake: rename PNG,JPEG options to WITH_* 2018-05-10 20:33:18 -06:00
Axel Kohlmeyer 95eb86d6c7 Need to use MPI_CXX_INCLUDE_PATH instead of MPI_C_INCLUDE_PATH on Fedora 28 with cmake 3.11 2018-05-10 21:20:06 -04:00
Axel Kohlmeyer 724ade0af3 silence compiler warnings about bool vs int in AtC lib 2018-05-10 18:48:47 -04:00
Christoph Junghans d43c556263 cmake: fix typo and added summary for KSPACE package 2018-05-10 16:11:10 -06:00
Axel Kohlmeyer 40a8b1af79 fix stupid bug in AtC when using alloca() instead of VLAs 2018-05-10 17:42:10 -04:00
Steve Plimpton 33a41a4fb3
Merge pull request #906 from akohlmey/recover-jenkins 
Recover jenkins test builds
 2018-05-10 15:20:01 -06:00
Christoph Junghans d7992f324d cmake: summary, fix typo, more info 2018-05-10 14:30:45 -06:00
Axel Kohlmeyer 79d1d3458e revive lib/atc/Makefile.mpic++ 2018-05-10 15:44:36 -04:00
Christoph Junghans a25895d31d cmake: add FFT_SINGLE option 2018-05-10 12:52:04 -06:00
Christoph Junghans 4f762deff8 cmake: drop FFTW2 support 2018-05-10 12:37:11 -06:00
Christoph Junghans 843f89fc92 cmake: add GPU into to summary 2018-05-10 12:36:09 -06:00
Christoph Junghans 6336c3b975 cmake: add option to download voro 2018-05-10 12:31:55 -06:00
Christoph Junghans a43e74180a cmake: add downlad option for LATTE 2018-05-10 11:09:15 -06:00
Christoph Junghans 6626cd5aaa cmake: add Eigen3 download for USER-SMD 2018-05-10 11:04:56 -06:00
Steve Plimpton aa1d815fe5
Merge pull request #904 from jrgissing/typing_bugfix 
Retyping parameters bugfix
 2018-05-10 06:56:50 -06:00
jrgissing 863a85353a type reassignment bugfix for edge atoms 2018-05-09 23:55:04 -06:00
Jacob Gissinger 662535865f
Merge pull request #12 from lammps/master 
rebase
 2018-05-09 23:51:57 -06:00
Axel Kohlmeyer 6226ec8831 import enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER} from pair.h 2018-05-10 01:32:57 -04:00
Christoph Junghans 6c91cc1f76 cmake: rename ENABLE_MPI to BUILD_MPI 2018-05-09 23:12:00 -06:00
Christoph Junghans 4e42ee2cfc cmake: add BUILD_OMP option 2018-05-09 23:09:23 -06:00
Axel Kohlmeyer 1224296365 move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h 2018-05-10 01:09:04 -04:00
Christoph Junghans 25cef528c9 cmake: remove -fno-second-underscore injection 2018-05-09 23:03:22 -06:00
Christoph Junghans 6359392834 cmake: MEAM needs a C compiler 2018-05-09 23:02:00 -06:00
Axel Kohlmeyer 71e1867dd2 move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
Christoph Junghans f90af1839e cmake: add a warning for QMMM 2018-05-09 22:42:33 -06:00
Christoph Junghans 2ebd4eb26e cmake: COMPRESS needs zlib 2018-05-09 22:24:22 -06:00
Axel Kohlmeyer 3682bc47c2 move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
Christoph Junghans 2797afbf3e cmake: only enable CXX by default 2018-05-09 22:16:19 -06:00
Christoph Junghans 635383c00c cmake: cache check for installed packages 2018-05-09 22:09:19 -06:00
Axel Kohlmeyer b6a8168e3f fix bug in procmap Comm::MULTIPLE import 2018-05-10 00:02:12 -04:00
Axel Kohlmeyer 71fce2e413 move enum{SINGLE,MULTI} and enum{MULTIPLE} to Comm in comm.h 2018-05-09 23:57:24 -04:00
Axel Kohlmeyer 994fd2af0e move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00