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ecd8fe71a1
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cosmetic
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2024-04-03 15:05:09 -04:00 |
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39d12e48d6
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must always return nfaces=0 for less than 3 vertices
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2024-04-03 15:04:39 -04:00 |
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c0abefeacb
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update links in manual to jacobi3() docs
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2024-04-02 23:53:25 -04:00 |
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78a3a7b9c2
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add optional argument to enable overriding sort order or eigenvalues/vectors
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2024-04-02 23:28:14 -04:00 |
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21745538a7
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Revert "change ordering of eigenvalues in jacobi3() function. update tests."
This reverts commit c4eadd3a59.
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2024-04-02 23:02:04 -04:00 |
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dfc68fb338
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-04-02 09:40:25 -04:00 |
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2ddd940a3e
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minor cosmetic changes
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2024-03-31 20:31:25 -04:00 |
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4eaf257e52
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small cleanups
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2024-03-31 19:49:01 -04:00 |
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051c818596
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enable and apply clang-format
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2024-03-31 19:39:21 -04:00 |
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3da6a7bdb0
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eliminate compatibility typedefs
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2024-03-31 19:29:09 -04:00 |
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0296ca75fb
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remove tabs
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2024-03-31 18:20:11 -04:00 |
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ff91728587
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reduce XDR compatibility code to only those routines that are used by dump xtc
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2024-03-31 18:09:40 -04:00 |
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0cdbcc801e
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switch to BSD 3-clause licensed XDR version, use c++11 portability, cleanups
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2024-03-31 17:42:41 -04:00 |
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ae6247d3be
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remove xdr_compat.h include and pimplify XDR struct, silence compiler warnings
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2024-03-31 17:41:35 -04:00 |
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f6bdc05c24
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alternate fix to PR #4116
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2024-03-30 19:19:47 -04:00 |
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a017a775bd
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Merge pull request #4108 from MightyHelper/develop
Allow compute spin for groups other than `all`
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2024-03-30 09:12:43 -04:00 |
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dcc7916210
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reorder header
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2024-03-29 21:32:08 -04:00 |
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b79bccec6c
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Merge pull request #4098 from GenieTim/patch-1
Fix variables compatibility with chunk arrays
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2024-03-29 20:34:03 -04:00 |
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7137290682
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Follow requested changes to patch
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2024-03-29 21:52:57 +01:00 |
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c684fa0920
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Merge branch 'lammps:develop' into patch-1
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2024-03-29 21:48:43 +01:00 |
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9c85e5a99b
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fix bug in option arg parsing of fix ave/correlate, also update doc page for fix ave/correlate/long
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2024-03-29 14:27:43 -06:00 |
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996f5b9d52
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fix ttm doc formatting fixes
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2024-03-29 02:50:30 -04:00 |
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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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f8d8ed0946
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use correct character class escapes
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2024-03-27 17:52:13 -04:00 |
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3c8ba3d376
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Update codeowners so changes to domain can be ported to KOKKOS package
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2024-03-27 13:14:52 -06:00 |
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edcbd2e761
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Fix bug in Kokkos when shrink-wrapping with no atoms
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2024-03-27 13:04:23 -06:00 |
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e5ea8c2670
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silence compiler warnings
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2024-03-27 06:04:56 -04:00 |
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cd154abe73
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add "Incorrect format in ... section of data file" to Error_details and url
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2024-03-26 23:56:38 -04:00 |
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b01efd96a5
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add missing link and expand docs for Unknown identifier in data file error
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2024-03-26 23:27:44 -04:00 |
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c4eadd3a59
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change ordering of eigenvalues in jacobi3() function. update tests.
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2024-03-26 01:52:07 -04:00 |
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45fbe73f2b
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Simplify output of windows version. If unknown build number just output "Windows Build #####"
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2024-03-25 22:48:01 -04:00 |
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f3391199e7
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correct formatting of tables
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2024-03-25 14:26:39 -04:00 |
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0b5722adc0
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Allow compute spin for groups other than all
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2024-03-22 18:44:12 -03:00 |
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810ae3cc45
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Merge pull request #4107 from Yi-FanLi/method_pimd
fix pimd/langevin: improve support for method==pimd
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2024-03-22 02:45:57 -04:00 |
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b22205493a
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Merge pull request #6 from akohlmey/method_pimd
Apply clang-format to your branch
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2024-03-21 22:53:15 -04:00 |
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cdab18f31f
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Merge pull request #4103 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-03-21 19:43:30 -04:00 |
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73eb12a204
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apply clang-format
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2024-03-21 12:17:06 -04:00 |
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b7def392fb
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correct p_cv computation for method=PIMD
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2024-03-21 11:55:13 -04:00 |
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8e3aa79a9e
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correct remove_com_motion for method=PIMD
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2024-03-21 11:32:30 -04:00 |
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5f6d3ad154
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allow t_vir and t_cv computation for method=PIMD
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2024-03-21 10:58:25 -04:00 |
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a8d07744c0
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split compute_cvir into 2 functions
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2024-03-21 10:55:48 -04:00 |
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2eb1ce98d9
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add compute_t_prim for method=PIMD
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2024-03-20 14:06:44 -04:00 |
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d123cd5440
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fix typo
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2024-03-20 04:57:03 -04:00 |
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2dd9560439
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add notes to python versions of lammps_extract_fix() that for global data one can only retrieve scalars
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2024-03-19 22:39:05 -04:00 |
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d0e2a846b2
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cosmetic
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2024-03-19 12:04:06 -04:00 |
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f8da51828a
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fix memory leaks in lammps_gather*concat() functions of the library interface
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2024-03-19 12:03:56 -04:00 |
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ee58003800
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update electron radius velocities and radii in EFF NH fixes analog to fix nve/eff
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2024-03-18 23:37:00 -04:00 |
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a824828ea0
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Merge branch 'develop' into collected-small-changes
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2024-03-18 22:00:33 -04:00 |
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b620c52b58
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Merge pull request #4105 from ndtrung81/gpu-sph-bugfix
Fixed bugs with sph gpu pair styles
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2024-03-18 21:59:33 -04:00 |
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e7075163f1
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update coding style
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2024-03-18 21:51:31 -04:00 |
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