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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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6adac6b637
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Merge branch 'master' into parse-logical-keyword
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2021-09-20 20:41:48 -04:00 |
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100da95e3a
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convert yes/no on/off flags in the package command(s)
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2021-09-20 16:15:24 -04:00 |
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3cab58bffe
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small correction
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2021-09-18 21:34:30 -04:00 |
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12406b90a1
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more iwyu header updates
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2021-09-18 21:24:01 -04:00 |
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66fc0438a8
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Merge branch 'master' into fix-ttm-grid
# Conflicts:
# doc/src/pair_snap.rst
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2021-08-30 16:37:51 -04:00 |
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fb72e00081
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Fix (the fix) for _MM_SCALE preprocessor defines for future Intel compilers.
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2021-08-28 17:18:05 -07:00 |
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28b6649f0c
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whitespace
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2021-08-27 20:31:58 -04:00 |
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66da0ebada
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adjust INTEL pppm files for new GridComm interface
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2021-08-27 11:01:27 -06:00 |
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9a19a814e4
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apply clang-format to packages
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2021-08-23 21:06:33 -04:00 |
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e29bd3d157
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update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
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2021-08-06 14:07:43 -04:00 |
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37ca6a8e0b
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make handling of reference to Memory class in ForceConst class more robust
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2021-08-02 15:50:44 -04:00 |
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b7be9415de
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fix segfault with pair style sw/intel
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2021-08-02 15:49:26 -04:00 |
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de4322b54c
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whitespace fixes
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2021-07-27 14:32:04 -04:00 |
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f34f6b2a27
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Merge branch 'master' of https://github.com/wmbrownIntel/lammps into intel-omp-simd
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2021-07-26 12:10:37 -07:00 |
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af359df042
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Allowing nofdotr for Intel package with newton off.
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2021-07-26 12:04:31 -07:00 |
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fefcd0e2af
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Converting cilk vectorization directives to the openmp standard and changing some more depracated vector intrinsics. Data alignment directives for compiler vectorization are still mostly intel specific.
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2021-07-26 11:22:21 -07:00 |
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acfe590343
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whitespace
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2021-07-20 16:03:33 -04:00 |
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1345c25f41
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Fixing issue where __INTEL_COMPILER not defined for next-gen (LLVM-based) in tersoff.
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2021-07-19 17:49:11 -07:00 |
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596845c8ef
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Merge branch 'master' of https://github.com/lammps/lammps into user-intel-llvm
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2021-07-19 11:25:42 -07:00 |
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d739c3bede
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Fixes to the Intel package to remove errors and warnings with clang-based compiler and support alternate preprocessor defines for the next-gen Intel compiler (currently not recommended for performance)..
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2021-07-19 11:16:09 -07:00 |
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bc4f2b65ae
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the INTEL package does not support pair_modify nofdotr
- no need to test for it
- add a check and report an error if the nofdotr setting is used
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2021-07-12 05:19:41 -04:00 |
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9898941169
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update tersoff docs about tersoff/intel requiring intel compilers
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2021-07-11 08:00:01 -04:00 |
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0e440f9a42
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more general mapping of tersoff/intel to tersoff when non-Intel compiler is used
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2021-07-11 00:56:14 -04:00 |
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0e55c2c4f2
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Merge branch 'master' into nofdotr-tests-and-updates
# Conflicts:
# unittest/cplusplus/test_lammps_class.cpp
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2021-07-10 22:36:43 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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