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ccdb939a40
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Merge pull request #3054 from nw13slx/rerun_bin
Support binary native dump files with read_dump and rerun
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2021-12-13 19:22:00 -05:00 |
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a887d880c6
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debugged kokkos support to dynamical_matrix command
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2021-12-13 14:14:14 -08:00 |
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ff41864cd9
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remove redundant deletes
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2021-12-13 15:28:27 -05:00 |
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cdc831bb89
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:30 -08:00 |
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f3543a839e
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:21 -08:00 |
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3eae7b4200
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:23:14 -08:00 |
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af2e295ac2
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:22:57 -08:00 |
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bb6d581ef8
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Update src/reader_native.cpp
Co-authored-by: Richard Berger <richard.berger@temple.edu>
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2021-12-13 12:22:39 -08:00 |
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94ac1ad4a0
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update version strings for the next patch release
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2021-12-13 11:56:44 -05:00 |
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9159b37e47
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Merge branch 'develop' into fmt_upgrade
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2021-12-13 10:03:38 -05:00 |
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d33019d8e4
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llvm anonymous struct workaround
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2021-12-13 11:08:06 +00:00 |
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94d5c75fdf
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small updates for docs and comments
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2021-12-12 18:11:33 -05:00 |
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7db29112d8
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replace read_buf to skip_buf in skip function
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2021-12-12 00:26:55 -05:00 |
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274b14618f
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fold match_fields() back into read_header() function
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2021-12-11 21:17:41 -05:00 |
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0603dc6323
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whitespace
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2021-12-11 20:46:24 -05:00 |
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86b696c78c
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Merge branch 'develop' into rerun_bin
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2021-12-11 20:31:48 -05:00 |
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56fd07d88e
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fold native binary reader class in to native reader class
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2021-12-11 20:31:44 -05:00 |
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8884acef24
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Revert "add to compress read"
This reverts commit b22c409079.
# Conflicts:
# src/platform.cpp
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2021-12-11 19:40:21 -05:00 |
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d7bb9b5f30
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reverse clang-format on irrelevant lines
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2021-12-11 17:49:29 -05:00 |
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b22c409079
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add to compress read
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2021-12-11 17:44:41 -05:00 |
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626889f534
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move the rb mode to the overloaded open_file function
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2021-12-11 17:36:29 -05:00 |
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d59458fa37
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clean up commands and documentation
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2021-12-11 17:24:27 -05:00 |
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8f99d8d1d9
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fix skip bugs
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2021-12-11 16:41:13 -05:00 |
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250a5921a3
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move match_field to protected method and format the docstring
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2021-12-11 14:25:29 -05:00 |
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2cdafb49a2
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remove variable names from func declaration
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2021-12-11 14:14:06 -05:00 |
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e9f0351b67
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reverse formatting on irrelevant files
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2021-12-11 14:10:47 -05:00 |
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eff26ba0b3
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add read_buf method and fix bugs in inheritance
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2021-12-11 14:02:58 -05:00 |
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b1e7333348
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remove wrong compression mode
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2021-12-11 12:32:17 -05:00 |
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7ab5d4edd4
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add new ReaderNativeBin class
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2021-12-11 11:54:21 -05:00 |
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4f34c4374b
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Merge pull request #3053 from stanmoore1/kk_desul
Enable Kokkos Desul atomics in Makefile to match CMake settings
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2021-12-11 06:12:50 -05:00 |
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62f5f4d126
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Merge remote-tracking branch 'github/develop' into fmt_upgrade
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2021-12-10 23:04:58 -05:00 |
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c69edde55c
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Eliminated several undefined variables
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2021-12-10 18:30:44 -07:00 |
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abd3df0c5a
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Merge pull request #3040 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2021-12-10 15:51:13 -05:00 |
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fc64fca3d9
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Whitespace
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2021-12-10 13:34:38 -07:00 |
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6bd3ddf908
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Don't use fetch variant of atomic if not needed
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2021-12-10 13:27:57 -07:00 |
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e49b7d0514
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Remove atomics for error/warning flags since they are not needed
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2021-12-10 13:14:12 -07:00 |
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161fdec540
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add improper amoeba class
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2021-12-10 12:52:11 -07:00 |
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fa8e2ccee8
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Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
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2021-12-10 13:42:31 -05:00 |
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5ead32f886
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more debugging and features
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2021-12-10 11:13:06 -07:00 |
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439853c4a8
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Moving store/local to an internal fix
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2021-12-10 10:33:52 -07:00 |
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14fc42833f
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modernize potential file reader for local/density
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2021-12-10 08:45:01 -05:00 |
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3fc0ea3e80
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correct names of the pack/unpack routines for forward communication
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2021-12-09 18:30:54 -05:00 |
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146c6fe5ff
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remove check that is no longer needed
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2021-12-09 18:08:43 -05:00 |
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facb49fc27
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disallow reset_timestep for time averaging fixes
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2021-12-09 15:09:42 -05:00 |
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e2969d09e1
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bug fix for fix dt/reset freq of 1
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2021-12-09 11:53:47 -07:00 |
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754610b9ee
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Merge pull request #3041 from oywg11/modified-sw-potential
A modified Stillinger-Weber potential for transition metal dichalcogenide
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2021-12-09 09:43:49 -05:00 |
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455cb09cf4
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Adding compatability with MC fixes, set_array to property/atom, faster update/special/bonds, single methods, and misc small changes
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2021-12-08 16:47:42 -07:00 |
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d4149e9139
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bug fixes to make a series of test inputs run correctly
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2021-12-08 16:44:51 -07:00 |
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44522221ad
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mass command, type label error check
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2021-12-08 16:28:17 -05:00 |
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5945e578b8
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direct type label support for mass command
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2021-12-08 16:04:22 -05:00 |
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