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afc8c752fd
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wrong kernel params
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2024-06-07 11:31:33 +02:00 |
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001063250e
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allocate extra_fields
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2024-06-07 09:05:11 +02:00 |
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7cb73ca1a1
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maybe wrong scale
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2024-06-06 11:23:38 +02:00 |
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0da8be7525
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Update lal_dpd_charged.cu
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2024-06-06 11:20:21 +02:00 |
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ce9f99e9c1
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store_answersq for ecoul
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2024-06-06 11:19:06 +02:00 |
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71d8fe564f
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wrong init var and still force...
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2024-06-06 10:55:26 +02:00 |
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06f1b1bffa
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wrong names, old var del
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2024-06-06 10:50:30 +02:00 |
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7d2764da27
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only dpd coef update
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2024-06-06 10:42:09 +02:00 |
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be298634b7
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readdress force sp_cl
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2024-06-06 10:40:13 +02:00 |
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69309cab0c
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header fix missing var
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2024-06-06 10:36:31 +02:00 |
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0e9fef01e7
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class fix and header
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2024-06-06 10:32:45 +02:00 |
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c1db6a50ec
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move eflag
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2024-06-06 10:10:36 +02:00 |
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8eefc0d305
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debug scale_in ; n_stride
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2024-06-06 09:58:11 +02:00 |
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eb7f947a0c
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cuda forces + init var
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2024-06-05 17:49:27 +02:00 |
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9ea57acf54
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pack4 cutoffs
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2024-06-05 11:40:24 +02:00 |
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b187001f38
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atom charge and dpd/slater cutoff passing
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2024-06-04 19:13:56 +02:00 |
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c69e905cd6
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Merge branch 'dpd_charged' of https://github.com/Eddy-Barraud/lammps-custom into dpd_charged
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2024-05-31 17:07:25 +02:00 |
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9b14a880dc
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charge pointer and corrections
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2024-05-31 17:07:22 +02:00 |
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154280899d
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Merge branch 'lammps:develop' into dpd_charged
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2024-05-31 15:24:08 +02:00 |
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fcdcf65995
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creation + working CPU
new pair style dpd/charged which is the combination of dpd and coul/slater/long
Working on CPU, GPU in progress
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2024-05-31 15:12:37 +02:00 |
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a495aff480
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Update Kokkos library in LAMMPS to v4.3.1
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2024-05-15 14:14:08 -06:00 |
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f382eac5c2
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Update Kokkos library in LAMMPS to v4.3.0
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2024-04-05 08:20:57 -06:00 |
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a13d53dd65
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disable references to cuFFT (which is not yet used)
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2024-03-28 16:14:44 -04:00 |
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6a28e8d5f6
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Fixed bugs with sph gpu pair styles
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2024-03-18 13:27:21 -05:00 |
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6cc9a4c7b7
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Update Kokkos library in LAMMPS to v4.2.1
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2024-03-06 14:58:06 -07:00 |
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9c6e88f575
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use plumed version 2.8.3 by default
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2024-02-09 05:09:47 -05:00 |
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953e01d2c4
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Linux to Windows cross-compilation is only supported by CMake
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2024-02-09 03:44:01 -05:00 |
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031cef558e
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silence unused parameter warnings in the gpu lib tree
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2024-02-06 20:18:43 -05:00 |
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f7fdad8bc5
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update external MDI library to version 1.4.26
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2024-01-23 21:21:04 -05:00 |
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5ece2139e8
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remove tabs and trailing whitespace
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2024-01-21 10:02:41 -05:00 |
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795d6e4420
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silence some more compiler warnings in CUDA code
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2024-01-21 09:36:10 -05:00 |
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b8ba3da4e2
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silence a few more compiler warnings
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2024-01-21 00:35:36 -05:00 |
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80ef8656e8
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remove some more dead code to silence compiler warnings
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2024-01-20 23:11:20 -05:00 |
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35a6bf0cac
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silence compiler warning
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2024-01-20 22:59:23 -05:00 |
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48e83b2298
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remove unused parameter and silence compiler warnings
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2024-01-18 22:55:02 -05:00 |
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991663feff
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Avoid (harmless) errors when shutting down the GPU.
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2024-01-18 22:42:32 -05:00 |
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9c4597b5e9
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more GPU package cleanup from Trung
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2024-01-17 16:12:36 -05:00 |
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6f0fab8b08
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bugfix for pair style coul/slater/long/gpu from Trung
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2024-01-15 12:29:05 -05:00 |
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b041ac7454
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backport bugfix for Kokkos with SYCL from upstream
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2024-01-12 13:30:16 -05:00 |
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b5aa04c36a
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remove unused variable
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2024-01-11 18:52:23 -05:00 |
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1e0d0e327c
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Merge pull request #4004 from akohlmey/collected-small-changes
Collected small changes and updates
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2023-12-13 16:25:16 -05:00 |
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0c4a1cb21d
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Merge pull request #4009 from ndtrung81/gpu-updates-Dec23
GPU package updates Dec 2023
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2023-12-13 11:59:10 -05:00 |
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304e141f24
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add missing define to GNU make based build of pace library as well
|
2023-12-13 11:46:01 -05:00 |
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0b35b98722
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add missing define to fix building ML-PACE with conventional build
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2023-12-13 11:30:17 -05:00 |
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569c23a1e6
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Fixed typo with the kernel names in lj/cut/coul/cut/soft
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2023-12-12 22:54:50 -06:00 |
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669782cd5f
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Saved some exp operations
|
2023-12-11 21:26:12 -06:00 |
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93f8ada8dc
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Fixed ecoul issue with the coul/slater/long kernels
|
2023-12-11 21:21:31 -06:00 |
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6e0e1dc44f
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Fixed atom force issues with the coul/long/slater kernels
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2023-12-11 17:10:43 -06:00 |
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76bf35fa4d
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Added -allow-unsupported-compiler to nvcc for both CMake and traditional CUDA builds
|
2023-12-10 14:42:27 -06:00 |
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e727ec1eac
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Fixed compiling bugs revealed by CUDA builds, removed unused variables
|
2023-12-09 16:46:10 -06:00 |
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