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ff5aa34f5a
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remove some dead code
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2024-02-07 04:39:42 -05:00 |
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4b0c1f2605
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Merge branch 'develop' of github.com:lammps/lammps into issue3775_fft_kokkos
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2024-02-06 12:09:55 -07:00 |
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d1f1cf4012
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silence compiler warnings
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2024-02-05 23:22:07 -05:00 |
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ad855ad7ea
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remove unused constants
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2024-02-05 20:26:23 -05:00 |
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de7c459b2f
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consolidate FFT settings in headers
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2024-01-31 13:28:41 -05:00 |
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6442e05988
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even more define to static constexpr conversions
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2024-01-25 02:17:28 -05:00 |
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7cb907da58
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remove unused variables
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2024-01-24 21:19:25 -05:00 |
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d2170cedec
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rename functions to avoid overloading polymorph functions
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2024-01-24 21:15:02 -05:00 |
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a6261d75b9
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some more define to static constexpr conversions
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2024-01-24 21:14:19 -05:00 |
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1f863cd4a3
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simplify since constexpr should conver to FFT_SCALAR at compile time
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2024-01-21 15:59:09 -05:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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4015d1bb39
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initialize static string buffers to empty strings
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2024-01-19 00:02:50 -05:00 |
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3ae4779c7f
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convert defines into static constexpr
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2024-01-18 23:59:33 -05:00 |
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768163865e
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avoid 32-bit integer overflow for PPPM grid
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2024-01-10 19:54:29 -05:00 |
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5b00ad8f71
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flag error if using INTEL package kspace styles with run style verlet/split
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2023-12-22 13:37:20 -05:00 |
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af74afdf62
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Editing intel files (to be templated)
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2023-12-11 09:02:55 -07:00 |
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a365cb15b0
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Updating class names in Intel
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2023-12-09 14:18:20 -07:00 |
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7679043793
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Merge conflicts
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2023-12-08 22:45:17 -07:00 |
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92c5150034
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Merge pull request #3979 from akohlmey/intel-fmtlib-workarounds
Workaround for bug in C++17 support in Intel Classic compilers with fmtlib
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2023-11-21 09:35:34 -05:00 |
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6cd2055084
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delete obsolete dependencies
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2023-11-19 09:18:40 -05:00 |
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be19b5c210
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Make naming consistent
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2023-11-17 12:46:45 -07:00 |
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0083cc9e26
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Port changes to OPENMP and INTEL packages
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2023-11-17 09:12:43 -07:00 |
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dc9140dfa8
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modernize
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2023-10-27 03:19:11 -04:00 |
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8f14cdcb34
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Cleaning up ghost stencils
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2023-10-24 13:55:43 -06:00 |
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0f94e6030f
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Adding separate ghost stencil for intel
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2023-10-24 12:26:37 -06:00 |
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3536cf9db9
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Adding triclinic patch to intel stencil
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2023-10-23 12:59:13 -06:00 |
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9ba20864ca
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Merge conflicts + intel
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2023-10-22 22:34:33 -06:00 |
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1571c96480
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Adding triclinic patch (except for intel)
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2023-10-22 21:52:43 -06:00 |
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51f0c9eac4
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Merge branch 'develop' of github.com:lammps/lammps into triclinic-neighbor-bug
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2023-10-16 12:18:04 -06:00 |
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c0ace4aa4b
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Merge pull request #3921 from wmbrownIntel/snap-intel
Adding intel variant of snap pair style.
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2023-10-10 11:02:43 -04:00 |
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5a455c5e3a
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remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg()
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2023-09-26 23:56:51 -04:00 |
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508dbb74c5
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print warning when using threads that snap/intel will not use them
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2023-09-15 08:37:32 -04:00 |
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1c10d0d495
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Intel Package: Adding snap variant.
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2023-09-14 17:11:51 -04:00 |
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7b6c78bc06
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explicitly flag ForceConst class destructor as noexcept(false) since call to set_ntypes() may throw exception
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2023-08-25 10:47:37 -04:00 |
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e10e1190e2
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Merge branch 'develop' into triclinic-neighbor-bug
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2023-08-04 22:32:19 -04:00 |
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bc6fcdc61a
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Applying triclinic neighbor fixes to intel package.
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2023-08-04 08:49:27 -07:00 |
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cc9dee5ecd
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use references instead of copies when looping over list of selected fixes
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2023-08-03 11:00:05 -04:00 |
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497659a4c7
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consolidate use of cstdint and cinttypes, with the latter being a superset of the former
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2023-07-24 16:29:54 -04:00 |
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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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d1980031ef
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remove more duplicate semicolons
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2023-06-25 06:02:17 -04:00 |
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55d767e416
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make sure intermediate results are 64-bit compatible, so the won't overflow
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2023-06-15 01:51:12 -04:00 |
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e01bde5be5
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avoid null pointer dereference
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2023-06-15 01:50:07 -04:00 |
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57f82924f5
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Merge branch 'develop' into collected_small_changes
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2023-06-14 18:24:18 -04:00 |
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3b37c92b87
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consistently print error when box has changed to triclinic without redefining kspace style
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2023-06-14 10:06:01 -04:00 |
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0dab1910db
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Small updates to benchmark script in INTEL/TEST
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2023-06-10 13:34:16 -07:00 |
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da9637e94c
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Adding std namespace specifier to transcendentals in intel pkg
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2023-06-10 13:33:10 -07:00 |
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f6b0981474
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Fixing some issues introduced into verlet_lrt_intel.cpp
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2023-06-09 14:05:41 -07:00 |
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2cb87bc9a2
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Intel package should not reset atom sort frequency if it is 0 (disabled).
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2023-06-08 21:47:30 -07:00 |
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2e1190bfee
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Fixing issue with when atom styles using torque are mixed with intel pair styles not using torque. Generating runtime error for mixing intel gayberne style with non-ellipsoid intel pair styles.
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2023-06-08 15:02:17 -07:00 |
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2f88153f06
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Implementing feature request for runtime control of pppm_table in Intel package.
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2023-06-07 10:43:51 -07:00 |
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