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13d4344999
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Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
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2023-01-20 07:32:46 -07:00 |
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3ae2805316
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add option variable to CMake build to select GPU library debug
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2023-01-19 07:06:29 -05:00 |
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212da7f109
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Merge branch 'develop' into amoeba-gpu
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2023-01-14 18:36:26 -06:00 |
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91cfe90aa3
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add missing tracking of updated file lists from globbing in the LEPTON package
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2023-01-11 01:09:54 -05:00 |
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f175a15627
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Merge branch 'develop' into gran-temp
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2023-01-10 09:58:50 -07:00 |
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f1471725e9
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allow to always build the C++-only parts of the MESONT package
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2023-01-06 22:18:50 -05:00 |
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3036f8d4c6
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Conditionally support the CONFIGURE_DEPENDS flag for globbing of CMake 3.12 and later.
# Conflicts:
# cmake/Modules/Packages/COLVARS.cmake
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2023-01-06 22:18:50 -05:00 |
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fbbe66c8bd
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Merge branch 'develop' into lepton-package
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2023-01-06 17:53:23 -05:00 |
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a218071b2b
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Merge pull request #3574 from akohlmey/collected-small-changes
Collected small changes and fixes
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2023-01-06 16:24:19 -05:00 |
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b2226f9c70
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Merge pull request #3588 from srtee/electrode-intel
simplified intel suffix styles in ELECTRODE
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2023-01-06 15:33:00 -05:00 |
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f007eaf946
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Merge branch 'develop' into collected-small-changes
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2023-01-06 14:41:22 -05:00 |
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9a8455f546
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Merge pull request #3577 from bathmatt/kokkos-mliap-pytorch
Have PyTorch interface for MLIAP working in Kokkos. This uses cuPy a…
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2023-01-06 14:24:10 -05:00 |
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3f496905d6
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Merge branch 'develop' into lepton-package
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2023-01-06 00:44:28 -05:00 |
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01d9033e2d
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Merge branch 'develop' into collected-small-changes
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2023-01-05 23:36:45 -05:00 |
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21d42336e2
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massively simplify CMake code for using ML-IAP Python wrappers with KOKKOS
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2023-01-03 20:53:14 -05:00 |
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d9abc3fcc0
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update CUDA Toolkit / GPU compatibility lists and GPU package compilation settings
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2023-01-03 11:56:44 -05:00 |
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e033cebcdd
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update lammps-user-pace version and checksum
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2023-01-03 14:30:04 +01:00 |
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8610fc6d33
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simplify intel versions of electrode fixes
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2023-01-03 12:32:12 +10:00 |
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c9a3894d12
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grammar
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2022-12-28 17:11:18 -05:00 |
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d47acfc0c4
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Have PyTorch interface for MLIAP working in Kokkos. This uses cuPy and a simple example is provided
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2022-12-28 07:01:47 +01:00 |
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afae6222b0
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Update build instructions for COLVARS package
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2022-12-27 20:02:44 -05:00 |
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989ec1b859
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remove lmp/LMP_ prefix from Lepton namespace and files to share it with colvars
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2022-12-27 10:57:43 -05:00 |
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cebb97e790
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Merge branch 'develop' after the distributed-grids PR was merged into amoeba-gpu, noted some API changes in reverse_comm
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2022-12-24 00:41:07 -06:00 |
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adb27c6e3c
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Update CMake
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2022-12-23 08:56:00 -07:00 |
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749adf3a59
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one more tweak to allow more x86 platforms to use JIT with Lepton
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2022-12-23 05:32:35 -05:00 |
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acf683e9d0
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define ASMJIT_STATIC to work around Windows issues
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2022-12-23 01:35:05 -05:00 |
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3a6492fc42
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use JIT compiler only on Linux for now
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2022-12-22 23:46:21 -05:00 |
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a8c881aaf3
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try to address linker issues with asmjit on older Linux machines
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2022-12-22 23:09:09 -05:00 |
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e59f99b440
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add support for JIT compilation
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2022-12-22 22:50:01 -05:00 |
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91c498c413
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suppres explicit exports/import in Lepton lib
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2022-12-22 16:32:17 -05:00 |
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5f934e3eae
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add LEPTON package build system support for CMake
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2022-12-21 18:28:35 -05:00 |
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281e67d6fb
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Merge branch 'develop' into distributed-grids
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2022-12-14 18:12:10 -05:00 |
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8af77c690c
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Merge branch 'develop' into amoeba-gpu
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2022-12-14 13:16:41 -06:00 |
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88ac09a8c0
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build system support: fix sgcmc may only be compiled if EAM is available
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2022-12-13 16:35:19 -05:00 |
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6365af8704
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Merge branch 'develop' into distributed-grids
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2022-12-01 10:38:55 -05:00 |
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6c3ebc19b7
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Merge branch 'develop' into gran-temp
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2022-11-30 08:54:19 -05:00 |
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b2c5c1fda4
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Fixing cmake style header
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2022-11-10 21:06:47 -07:00 |
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d1dd8d3c11
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Renaming files/classes, other small, misc updates
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2022-11-10 16:06:36 -07:00 |
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01b4600ba5
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remove obsolete file
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2022-11-10 07:11:22 -05:00 |
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710197cd88
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add MS-MPI support to CMake support for plugins
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2022-11-04 23:00:34 -04:00 |
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0de50f29f7
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add option to use the MS-MPI SDK to cross-compile Windows binaries
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2022-11-04 21:56:06 -04:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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74122040a3
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add cmake support for generating gsm style header file
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2022-11-02 20:20:06 -04:00 |
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10d3b1a875
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Merge pull request #3510 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2022-11-02 19:52:06 -04:00 |
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902a07a83a
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update for portability
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2022-11-01 21:23:45 -04:00 |
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3252424dea
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Merge branch 'develop' of https://github.com/lammps/lammps into kokkos-mliap-so3
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2022-10-31 15:20:38 -07:00 |
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6afa1d14d2
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downgrade KOKKOS OpenMP check to version 3.1
need to apply special exception for NVHPC/PGI compilers
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2022-10-26 22:36:15 -04:00 |
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ca6aba52bb
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modernize OpenMP detection and check for omp.h in CMake
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2022-10-26 22:35:41 -04:00 |
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511e1bb7b9
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Merge branch 'develop' into kokkos-mliap-so3
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2022-10-24 19:03:42 -04:00 |
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d313179917
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add compatibility to VTK version 9.0 and above
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2022-10-24 16:25:10 -04:00 |
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