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dc08dba592
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update embedded search box
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2022-07-28 18:58:58 -04:00 |
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0eaa2775cd
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document missing call
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2022-07-27 22:13:33 -04:00 |
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852673ce41
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fix off-by-one bug
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2022-07-27 21:44:22 -04:00 |
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8c711e405a
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correct make command line example
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2022-07-27 08:38:37 -04:00 |
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25b9f95061
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add check on extracting elements twice from the library to avoid opaque error later
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2022-07-26 15:01:03 -04:00 |
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ee66a6f8c1
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correct formatting
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2022-07-26 12:34:05 -04:00 |
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b694a5f582
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add reference
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2022-07-26 12:33:57 -04:00 |
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7ab3fce93f
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correct typos
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2022-07-26 12:33:48 -04:00 |
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1f9509cb6f
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strip off -pendantic-errors flag when compiling with nvcc_wrapper to fix error compiling ML-PACE
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2022-07-18 14:00:53 -04:00 |
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cad1d8ece4
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correct unit tests for dump local
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2022-07-17 12:16:01 -04:00 |
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b709d75f80
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add support for dump_modify colname to dump local
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2022-07-17 11:52:15 -04:00 |
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5839909061
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fix cut-n-paste error and improve error message
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2022-07-17 11:46:51 -04:00 |
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30f374de58
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clarify
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2022-07-16 06:42:19 -04:00 |
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0f9fec05fb
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disallow use of variable functions vdisplace(), swiggle(), and cwiggle() with fix dt/reset
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2022-07-16 06:42:11 -04:00 |
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972a86f0ec
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fix cut-n-paste typo
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2022-07-15 19:06:14 -04:00 |
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7338ebfc94
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Update Errors_warnings.rst
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2022-07-15 12:28:07 -04:00 |
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7132152693
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Update Errors_messages.rst
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2022-07-15 12:27:57 -04:00 |
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c9925f64f7
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cosmetic changes, silence warnings, avoid temporary char buffers
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2022-07-15 12:27:48 -04:00 |
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6da523c8b8
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very-small-templates bugfix
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2022-07-15 12:27:36 -04:00 |
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0522284589
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bugfix: specials update corner case
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2022-07-15 12:27:26 -04:00 |
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e10a66dabc
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allow ramp(x,y) to be used in between runs (returning x) and avoid division by zero on run 0
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2022-07-15 05:41:12 -04:00 |
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51dd631a76
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Fix bug in vtk dump
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2022-07-15 04:29:54 -04:00 |
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d37249787e
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work around issues with Intel compilers compiling the GPU package
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2022-07-12 00:38:51 -04:00 |
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f44841de69
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update unit test
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2022-07-07 10:32:47 -04:00 |
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54c5337d2d
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apply clang-format
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2022-07-07 10:32:32 -04:00 |
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efb0e63bf6
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correct force and energy for excluded pairs
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2022-07-07 10:32:20 -04:00 |
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13d78c3afa
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Update Kokkos version in CMake
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2022-07-04 10:49:03 -04:00 |
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f2910b1d9c
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Update Kokkos library in LAMMPS to v3.6.1
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2022-07-04 10:48:51 -04:00 |
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78b22a64aa
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formatting corrections and minor tweaks to the Argon viscosity howto
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2022-07-01 09:27:43 -04:00 |
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8bb1880c9d
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Fixed temperature in argon GK example
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2022-07-01 09:27:36 -04:00 |
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e7b36c7b90
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make certain to switch to the expected source folder when building n2p2 lib
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2022-07-01 05:49:07 -04:00 |
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d7804e3770
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MPI may need to include multiple folders (e.g. on Ubuntu with OpenMPI)
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2022-06-30 23:53:57 -04:00 |
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8d0f9695d2
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update googletest to version 1.12.1
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2022-06-30 14:57:22 -04:00 |
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52b2e4f364
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add Update 1 string to version info
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2022-06-29 17:44:29 -04:00 |
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41140149ea
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whitespace
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2022-06-29 17:06:11 -04:00 |
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85e556ac8f
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add more unit tests for boolean expressions
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2022-06-29 17:05:37 -04:00 |
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cd5437a7e2
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fix bug in recent bugfix
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2022-06-29 17:05:27 -04:00 |
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00cc82ac94
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update and expand unit tests for if() command boolean evaluation
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2022-06-29 17:04:49 -04:00 |
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20f87e3f1d
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change boolean = single string to an error
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2022-06-29 17:04:34 -04:00 |
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97e34f0667
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better error strings
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2022-06-29 17:04:23 -04:00 |
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3e5da9b09a
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more consistency checks
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2022-06-29 17:04:12 -04:00 |
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a62fcca7a4
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Boolean expression corner case
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2022-06-29 17:04:01 -04:00 |
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778d59fa6b
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whitespace
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2022-06-29 05:19:10 -04:00 |
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3833a85d7a
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Add missing grow to Kokkos unpack_exchange
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2022-06-29 05:17:55 -04:00 |
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6d961ab29f
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Fix small memory leak in SNAP
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2022-06-29 05:17:46 -04:00 |
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001824e0f6
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Small tweaks
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2022-06-29 05:17:36 -04:00 |
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953d32f9b3
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Prevent view bounds error when a proc has no atoms
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2022-06-29 05:17:26 -04:00 |
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edba922665
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Add missing GPU <--> CPU data transfer in minimize Kokkos
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2022-06-29 05:17:17 -04:00 |
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53806d4601
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Add more missing Kokkos data movement
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2022-06-29 05:17:06 -04:00 |
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67597722d5
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intergrate references to dump cfg/uef into the dump command docs
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2022-06-25 06:19:04 -04:00 |
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