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45508baee5
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major refactor for restart, data file handling. removal of dead code.
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2024-06-19 11:09:56 -04:00 |
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6ada6b7bf2
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update example for dpd/coul/slater/long
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2024-06-19 11:00:21 -04:00 |
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0aff26705c
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correct force style input
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2024-06-19 10:40:19 -04:00 |
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83a024b26b
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add force style test
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2024-06-18 21:41:34 -04:00 |
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4be1b41aef
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class n func rename
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2024-06-17 10:03:06 +02:00 |
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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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03251e823f
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add terminal newline
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2024-06-13 15:20:12 -04:00 |
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fb23df7bf7
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example input file
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2024-06-13 17:35:45 +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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8eec17d409
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add missing file for CMake build
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2024-06-13 09:26:23 -04:00 |
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e95598a716
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doc fixes
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2024-06-13 09:17:09 -04:00 |
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397dc9a7f6
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build system and maintenance updates
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2024-06-13 09:13:55 -04:00 |
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3865dda5a2
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integrate new doc file into manual
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2024-06-13 08:33:40 -04:00 |
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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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8bbbe2dd6b
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Update pair_dpd_coul_slater_long.rst
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2024-06-13 11:43:57 +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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2434ad6574
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doc page
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2024-06-12 17:29:16 +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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2470d621c8
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wrong header name...
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2024-06-12 15:31:28 +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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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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14f0a14c82
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Merge branch 'dpd_charged' of https://github.com/Eddy-Barraud/lammps-custom into dpd_charged
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2024-06-07 09:05:13 +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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fd373957cc
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Merge branch 'lammps:develop' into dpd_charged
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2024-06-06 18:37:40 +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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5c9ac8e569
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Update pair_dpd_charged_gpu.cpp
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2024-06-06 11:14:28 +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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2da4f23743
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debug
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2024-06-06 10:23:32 +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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7ef9a93a75
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Merge pull request #4167 from stanmoore1/kk_hybrid_topo
Port hybrid bond topology styles to Kokkos
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2024-06-05 09:44:54 -06:00 |
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c1c3f21b36
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Need to update index as well
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2024-06-05 09:05:13 -06:00 |
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ecdc1bc336
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Update docs
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2024-06-05 08:29:33 -06:00 |
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c6f32b8cb3
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Merge pull request #4185 from lab-cosmo/ipi-example
Updated i-pi example
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2024-06-05 08:14:42 -06:00 |
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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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8a94faee58
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Updated i-pi example
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2024-06-04 23:48:17 +02:00 |
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