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e5b521e011
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remove BUILD_EXE and BUILD_LIB options from CMake files. we always build both.
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2020-04-08 18:31:46 -04:00 |
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a2132f8596
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Optimized some bnorm_flags
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2020-04-08 13:02:37 -07:00 |
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1c94415d1f
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Remove whitespace
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2020-04-08 13:57:12 -04:00 |
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438ee4d75b
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Merge remote-tracking branch 'origin/master' into gpu_hip
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2020-04-08 13:49:41 -04:00 |
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b74aabf05c
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Merge pull request #1956 from junghans/cmake_clean_up
cmake: major refactor of CMake support to take advantage of CMake 3.10 and beyond.
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2020-04-08 12:52:06 -04:00 |
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19f1d0445d
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Added THIS IS NOT RIGHT note
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2020-04-08 10:32:27 -06:00 |
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1fed78eecf
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Removed abort condition, enabled capped force
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2020-04-08 08:23:34 +01:00 |
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0443ac2dd4
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Created class ComputeSNAP, not completely finished, but compiles
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2020-04-07 20:51:39 -06:00 |
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459c1bbf63
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Merge branch 'master' into cmake_clean_up
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2020-04-07 16:17:33 -04:00 |
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9da2d34f9d
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Update pair_cs.rst
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2020-04-07 18:50:53 +02:00 |
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4ef0e17900
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Update README
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2020-04-07 18:44:06 +02:00 |
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c6d09437ae
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pair_style lj/class2/coul/long/cs
The files for the core-shell version of the pair_style lj/class2/coul/long
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2020-04-07 18:41:15 +02:00 |
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15ddbf7e9e
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Removed abort condition, enabled capped force
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2020-04-07 13:32:05 +01:00 |
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46ee159f14
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Added custom tally functions
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2020-04-06 17:05:43 -06:00 |
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4b6dcb3452
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LAMMPSConfig.cmake.in: add support for some more packages
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2020-04-06 14:51:44 -06:00 |
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bb9ffe2edc
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simple.c: fix lammps include
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2020-04-06 14:15:47 -06:00 |
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5da96f4574
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LAMMPSConfig.cmake: add support for PKG_USER-SCAFACOS and PKG_PYTHON
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2020-04-06 12:10:39 -06:00 |
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6c8161b2a3
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cmake: remove wrongly added warning about downloading
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2020-04-06 12:10:00 -06:00 |
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01cd32ebc2
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Merge pull request #1972 from akohlmey/collected-small-changes
Collected small changes for the next patch
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2020-04-06 10:22:20 -04:00 |
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f3e1db4174
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one more false positive
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2020-04-06 08:45:22 -04:00 |
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56c07cec26
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handle not previously flagged false positives
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2020-04-06 08:28:12 -04:00 |
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73aeb74c2a
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LAMMPSConfig: more fixes for static liblammps
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2020-04-05 20:51:02 -06:00 |
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2d92d8f8c6
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LAMMPSConfig.cmake: fix linking against FFTW3
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2020-04-05 20:06:56 -06:00 |
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592a5fac53
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fix bugs in doc makefile
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2020-04-05 21:56:55 -04:00 |
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f0817321f9
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LAMMPSConfig.cmake.in: improve static lib case
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2020-04-05 19:52:28 -06:00 |
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97b11ea746
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enforce using sphinx version 2.4.4, install spellchecker with all other sphinx tools
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2020-04-05 21:36:06 -04:00 |
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d8402b6249
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KIM.cmake: doesn't require MPI
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2020-04-05 19:24:12 -06:00 |
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b9c747b680
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KIM.cmake: indentation
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2020-04-05 19:01:17 -06:00 |
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d568fea7c3
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cmake: derive LAMMPS_API_DEFINES from lammps target properties
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2020-04-05 18:58:16 -06:00 |
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1b87ce04ee
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cmake: fix a typo
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2020-04-05 15:40:15 -06:00 |
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ac393ca38d
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GPU.cmake: use OpenCL imported target
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2020-04-05 15:37:17 -06:00 |
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a77166379b
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cmake: remove old comment
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2020-04-05 15:23:23 -06:00 |
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6b199f502c
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cmake: add error for downloading with <=cmake-3.11
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2020-04-05 15:14:30 -06:00 |
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9003553384
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cmake: move OpenCL handling under Windows in GPU.cmake
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2020-04-05 15:12:40 -06:00 |
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e18439f387
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cmake: make more include files consistent
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2020-04-05 15:03:25 -06:00 |
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1988a2a725
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cmake: make USER-H5MD.cmake consistent
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2020-04-05 14:58:54 -06:00 |
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9aa6d04997
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cmake: move if(PKG_) out of cmake file
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2020-04-05 14:57:06 -06:00 |
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5411ae698f
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KSPACE.cmake: use MKL imported target
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2020-04-05 14:39:13 -06:00 |
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e8317b2f6b
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cmake: don't use PythonInterp on new cmake
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2020-04-05 11:53:43 -06:00 |
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909b2dcff8
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PYTHON.cmake: don't use PythonLibs on new cmake
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2020-04-05 11:43:54 -06:00 |
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6f5fcd66ac
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cmake: check flags in CMAKE_TUNE_FLAGS
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2020-04-05 08:58:34 -06:00 |
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3cb825c308
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Made ev_tally_full() public
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2020-04-05 00:28:47 -06:00 |
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47709c4cad
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Now using mix and match syntax
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2020-04-05 00:21:31 -06:00 |
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b5dfdc4fa4
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Separated out class hierarchy
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2020-04-05 00:17:31 -06:00 |
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b84a2481ed
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Merge remote-tracking branch 'charlie/chem_snap' into ml_chem_snap
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2020-04-04 11:38:56 -06:00 |
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4e0eb0c501
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no more need to set compiler flags for intel compiler in preset
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2020-04-03 21:24:45 -04:00 |
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5c0e8a6b0d
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cmake: add options to summary
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2020-04-03 15:24:11 -06:00 |
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c54bb316b8
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USER-INTEL.cmake: remove duplicated injection of GNU flags
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2020-04-03 14:25:43 -06:00 |
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1daa4ce374
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USER-INTEL.cmake: add_compile_options -> target_compile_options
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2020-04-03 14:24:27 -06:00 |
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9df26bca55
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cmake: export lmp executable as well
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2020-04-03 13:39:28 -06:00 |
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