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a4ac48addf
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add example file and author contrib
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2024-06-14 10:13:48 +02:00 |
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575853b27a
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correct headers' author
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2024-06-13 17:11:54 +02:00 |
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1b040d7108
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white space fix
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2024-06-13 13:49:18 +02:00 |
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35cbc84329
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Update lal_dpd_coul_slater_long.cpp
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2024-06-13 10:25:56 +02:00 |
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99263ed7d7
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init_atomic with new pair name
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2024-06-12 15:41:38 +02:00 |
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3686a7fcf3
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wrong cl / cubin header file names
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2024-06-12 15:25:28 +02:00 |
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84ed769ca3
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changing the fix name and file names for coherence
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2024-06-12 15:12:55 +02:00 |
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7f1fbca66f
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update lal_base_dpd for optional charged
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2024-06-12 14:30:54 +02:00 |
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e0c2009525
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update conditions, comments, better eflag handle
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2024-06-10 11:33:58 +02:00 |
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43ce6b018a
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update Plumed support for version 2.8.4 and 2.9.1
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2024-06-09 01:30:35 -04:00 |
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85c345cf2d
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duplicate calc of r
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2024-06-07 16:51:32 +02:00 |
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f5b2eb3a80
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Update lal_dpd_charged.cu
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2024-06-07 15:16:54 +02:00 |
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aadeb1149d
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double host write, wrong dpd cond
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2024-06-07 15:14:05 +02:00 |
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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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