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ca091b2e75
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update ELECTRODE package instructions for traditional make. fix plural/singular.
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2022-10-27 16:23:55 -04:00 |
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3e1acfc500
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Update Kokkos Arch in docs
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2022-10-10 16:29:55 -06:00 |
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b37c145352
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convert URLs to https where possible, check URLs for bit rot and update or remove
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2022-09-24 08:02:18 -04:00 |
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ac158a7b4b
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whitespace
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2022-07-29 06:58:48 -04:00 |
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2ce33c14b7
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Merge pull request #3365 from pvelesko/chip_spv
Add CMake and GNU make support for HIP via CHIP-SPV
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2022-07-29 06:33:55 -04:00 |
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24b3de8727
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update documentation for CMake
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2022-07-27 06:41:19 +00:00 |
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1f4447d1cd
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add USE_INTERNAL_LINALG to workaround passing BLAS/LAPACK settings to external projects
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2022-07-21 05:42:23 -04:00 |
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898eda794c
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minor updates
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2022-05-19 00:06:11 -04:00 |
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c05af749df
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Merge branch 'develop' of https://github.com/lammps/lammps into hipfft
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2022-05-05 12:15:28 -04:00 |
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385f0c6c95
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Update Kokkos build documentation to include hipFFT options.
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2022-04-27 10:13:03 +10:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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bd6d7b9136
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clarify CUDA versus OpenCL build and runtime restrictions
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2022-04-13 14:24:43 -04:00 |
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f3363070e7
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remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-12 15:48:16 -04:00 |
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19b42bc726
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Merge branch 'develop' into electrode
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2022-04-09 06:31:22 -04:00 |
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792ae5dae5
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remove src/MESSAGE package and supporting dirs and doc pages
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2022-04-07 15:44:48 -06:00 |
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65be564cd6
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Review akohlmey
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2022-04-05 15:35:04 +00:00 |
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134c77a5c6
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reference kokkos-sycl.cmake in the docs
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2022-04-04 14:47:53 -04:00 |
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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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47f578bcca
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Fixup typos
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2021-12-01 21:15:28 -06:00 |
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65d31dfeb1
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Adjustments to lib/kim/Install.py and docs
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2021-12-01 16:49:00 -06:00 |
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b3d7904120
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Update docs
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2021-11-30 11:12:30 -07:00 |
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d8ca3e4b16
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add support for automatically downloading and building libquip
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2021-07-20 16:00:42 -04:00 |
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d041e5cba0
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we require at least zstd API version 1.4
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2021-07-06 13:39:07 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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cc0d9f2be0
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recover building the manual
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2021-06-29 21:49:21 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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d52cd88492
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rename USER-QUIP to ML-QUIP
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2021-06-29 15:55:41 -04:00 |
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fd24820603
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rename USER-PACE to ML-PACE
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2021-06-29 15:45:50 -04:00 |
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031e537d3f
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rename USER-HDNNP to ML-HDNNP
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2021-06-29 15:38:45 -04:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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eda2cd965e
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rename MLIAP package to ML-IAP
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2021-06-29 10:44:32 -04:00 |
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8c8e4eaeec
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Update Kokkos arch list
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2021-05-27 10:48:10 -06:00 |
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e01502d349
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Finished build doc pages
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2021-05-21 18:18:46 +02:00 |
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9cf8f96838
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Fixed bug, changed build docs
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2021-05-17 00:39:06 +02:00 |
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31a55f1f76
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-05-16 22:54:29 +02:00 |
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a731c43000
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Add docs for mdi_engine command and fix
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2021-05-12 18:31:10 -04:00 |
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41c784a8a8
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Update Build_extras
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2021-04-26 20:51:35 -06:00 |
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56be6d8ec2
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-04-20 23:20:14 +02:00 |
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d8c68dec6f
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whitespace fixes
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2021-04-12 23:32:26 -04:00 |
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04248c2ccd
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finalize CMake build docs
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2021-04-12 14:52:35 -04:00 |
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a39dc9f9b2
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Added minimal info on downloading and building PACE library
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2021-04-08 13:36:04 -06:00 |
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4c2fb7a431
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Porting to new default platform for AMD/HIP in ROCm 4.1
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2021-04-01 09:43:13 -05:00 |
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7b9dfb296d
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Renamed pair style, user package: nnp => hdnnp
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2021-04-01 00:35:17 +02:00 |
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6dfd475175
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-03-31 23:24:11 +02:00 |
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d1b4af60a3
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disable GPU binning via CUDPP by default and describe why
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2021-03-16 11:58:47 -04:00 |
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992d0e13aa
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-02-24 23:37:21 +01:00 |
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037441b502
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More documentation, added citation in source
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2021-02-24 23:35:21 +01:00 |
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e713a931d3
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Added lots of docs, finished CMake script
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2021-02-24 17:57:24 +01:00 |
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