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b47ad7acf4
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Revert "make delete_bonds command code compatible with BPM package not being installed"
This reverts commit 715b030bd6.
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2024-01-17 15:46:03 -05:00 |
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a131b90962
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make delete_bonds command code compatible with BPM package not being installed
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2024-01-12 16:19:11 -05:00 |
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d0ae489dda
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addressed some pr comments
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2023-12-01 15:12:23 -05:00 |
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a6e629f4e4
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update variable names
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2023-12-01 15:12:23 -05:00 |
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77ad067458
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added documentation
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2023-12-01 15:12:23 -05:00 |
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fc28fc318b
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Update CODEOWNERS for cmake
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2023-11-21 10:57:33 -07:00 |
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c66710934d
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reduce warnings when compiling with intel classic compilers
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2023-11-18 06:22:16 -05:00 |
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be286d2c7d
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lower the C++ standard to 14 for some files when compiling with intel classic compiler
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2023-11-18 06:21:28 -05:00 |
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ceed4c7db8
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for consistency with CMake 3.12+ we should set Python_EXECUTABLE instead of PYTHON_EXECUTABLE
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2023-10-24 07:51:54 -04:00 |
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df1e2a64d2
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the MESONT package depends on the MOLECULE package since the last upgrade
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2023-08-23 19:03:34 -04:00 |
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351a9dd11f
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2023-08-23 03:02:29 -04:00 |
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a81412f015
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remove MPIIO sources and references to them. update Purge.list and build systems
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2023-08-20 21:51:33 -04:00 |
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a86c0ed671
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suppress pointless warning by MSVC++ compilers
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2023-08-19 17:48:03 -04:00 |
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951b344a07
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Merge branch 'develop' into cmake-3.16
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2023-08-04 13:05:08 -04:00 |
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1a5b947593
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flag if we are cross-compiling
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2023-08-04 08:02:06 -04:00 |
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e958cc0ef1
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silence warning about a setting that was added to silence warnings
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2023-08-04 08:01:57 -04:00 |
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ecb28e8e2e
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Merge branch 'develop' into cmake-3.16
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2023-08-04 04:26:30 -04:00 |
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a10aab440f
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report LAMMPS GUI build choices in CMake config summary
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2023-08-03 22:09:36 -04:00 |
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e467461cac
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Merge pull request #3736 from lammps/always-exceptions
Always throw exceptions for errors
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2023-08-03 21:00:19 -04:00 |
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2305c4cb30
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Merge branch 'develop' into cmake-3.16
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2023-08-03 17:39:15 -04:00 |
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794e3d11df
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Merge pull request #3670 from stanmoore1/kk_update_4.0
Update Kokkos library in LAMMPS to v4.1.0
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2023-08-03 17:36:22 -04:00 |
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6e9a6e6b0b
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Merge pull request #3856 from akohlmey/remove-mscg-package
Remove MSCG package from LAMMPS distribution
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2023-08-03 17:29:56 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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e0055ea929
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-08-03 13:42:48 -06:00 |
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6b50daf5b7
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Merge branch 'collected-small-fixes' into lammps-gui
# Conflicts:
# cmake/CMakeLists.txt
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2023-08-01 03:07:56 -04:00 |
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d9f4ce04af
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integrate packaging related changes, build script for GUI
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2023-07-29 21:03:24 -04:00 |
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b87ced52b4
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first minimal stab at LAMMPS GUI
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2023-07-24 19:07:33 -04:00 |
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c42ec8a647
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create toplevel README file when building for static Linux or macOS multiarch
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2023-07-19 18:14:03 -04:00 |
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f26064d9a5
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also install the bench folder into ${datadir}
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2023-07-19 17:46:21 -04:00 |
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9b7bd71ab6
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remove MSCG package from LAMMPS distribution
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2023-07-16 21:04:58 -04:00 |
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4a46083e88
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add git commit descriptor to LAMMPS version output
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2023-06-30 23:29:17 -04:00 |
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b50fc0be78
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remove obsolete CONFIGURE_DEPENDS backward compatibility hack
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2023-06-30 23:19:53 -04:00 |
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71b48253e8
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remove special case CMake code for versions before 3.16
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2023-06-30 23:15:37 -04:00 |
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378ef4b23e
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require CMake version 3.16
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2023-06-30 22:59:41 -04:00 |
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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -04:00 |
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741db3da28
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-06-05 10:55:24 -06:00 |
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478058119b
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integrate CMake build procedure for tools/phonon
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2023-05-01 20:14:52 -04:00 |
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f138117ecf
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-04-18 12:36:08 -06:00 |
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0cd5ae5f2e
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remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
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2023-04-15 17:49:08 -04:00 |
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0965d9da2b
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remove references to LATTE packages in CMake scripts
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2023-03-29 17:33:38 -04:00 |
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ab48b834f7
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refactor python module wheel building and installation to be less prone to race conditions
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2023-03-24 17:43:52 -04:00 |
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1991332887
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-03-24 09:17:32 -06:00 |
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4a66389bf1
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purge build folder from within install.py script
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2023-03-16 16:39:34 -04:00 |
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d18c1fdad1
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Update C++ standard for Kokkos
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2023-03-03 09:36:29 -07:00 |
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a92c9e3b91
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cmake: remove pip install from install target
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2023-02-22 20:15:59 -07:00 |
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2aa0e76ad9
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avoid linking errors due to nvcc wrapper warning silencing.
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2023-03-07 13:52:12 -05:00 |
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6f3c8fc48e
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add CMake option to skip automatic download of large potential files
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2023-01-21 11:21:02 -05:00 |
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4d545b3539
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remove Fortran library and the styles based on it from MESONT package
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2023-01-20 18:29:54 -05:00 |
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00908fef17
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gather Kokkos device/arch settings and print in summary
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2023-01-11 18:14:58 -05:00 |
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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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