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be01ec2e07
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document variable substitution
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2022-12-24 05:53:18 -05:00 |
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30a6a8a54e
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add support for substituting LAMMPS variables in Lepton expressions
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2022-12-24 00:35:22 -05:00 |
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7b3866d04c
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move lepton utilities to lepton_utils namespace in LEPTON package
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2022-12-24 00:08:03 -05:00 |
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3d7082499d
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update docs to include angle style lepton
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2022-12-23 16:07:14 -05:00 |
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67f0c48781
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add angle styles lepton and lepton/omp
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2022-12-23 15:34:01 -05:00 |
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a2af2b4135
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add versionadded tags
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2022-12-23 12:15:36 -05:00 |
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132a4cbc91
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update traditional build for updated Lepton library and inclusion of asmjit
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2022-12-23 12:13:10 -05:00 |
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b67dcd7ca3
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small tweaks
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2022-12-23 06:30:00 -05:00 |
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749adf3a59
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one more tweak to allow more x86 platforms to use JIT with Lepton
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2022-12-23 05:32:35 -05:00 |
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acf683e9d0
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define ASMJIT_STATIC to work around Windows issues
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2022-12-23 01:35:05 -05:00 |
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3a6492fc42
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use JIT compiler only on Linux for now
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2022-12-22 23:46:21 -05:00 |
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09871a0178
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mention JIT
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2022-12-22 23:32:06 -05:00 |
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a8c881aaf3
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try to address linker issues with asmjit on older Linux machines
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2022-12-22 23:09:09 -05:00 |
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ae8f03803c
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Merge branch 'develop' into lepton-package
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2022-12-22 22:52:20 -05:00 |
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5b42064fcf
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add docs for lepton pair and bond style
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2022-12-22 22:50:24 -05:00 |
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e59f99b440
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add support for JIT compilation
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2022-12-22 22:50:01 -05:00 |
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ca27fb3a98
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update Lepton to current master branch
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2022-12-22 22:47:45 -05:00 |
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91c498c413
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suppres explicit exports/import in Lepton lib
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2022-12-22 16:32:17 -05:00 |
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d9b1e318e8
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add documentation for LEPTON package and lepton pair and bond style
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2022-12-22 15:48:24 -05:00 |
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07fe2fa29d
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Merge pull request #3570 from lammps/doc-ovito-info
OVITO info for dump doc page
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2022-12-22 15:46:35 -05:00 |
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d4af1834ec
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Update dump.rst
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2022-12-22 10:44:03 -07:00 |
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090a4a69b9
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Merge pull request #3561 from lammps/map_ghost_bug
Fix bug when atoms are added after run
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2022-12-22 12:27:56 -05:00 |
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90cf1d6fca
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update VMD compatibility info, too.
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2022-12-22 12:25:49 -05:00 |
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0b7a55dac6
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OVITO info in dump doc page
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2022-12-22 08:11:22 -07:00 |
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a5ecef708f
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correctly compute offsets. update unit test files.
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2022-12-22 09:59:55 -05:00 |
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e99bd14fd8
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Merge branch 'develop' into lepton-package
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2022-12-22 09:25:26 -05:00 |
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8b8c0ee72d
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Merge pull request #3567 from akohlmey/next_patch_release
Set version strings for next patch release
patch_22Dec2022
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2022-12-22 09:16:33 -05:00 |
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ab72e95d0a
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restart offset for bond style lepton
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2022-12-22 07:26:00 -05:00 |
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2865929558
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update for added source
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2022-12-22 07:11:04 -05:00 |
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48c23788f2
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handle pair_modify shift and enforce the bond lepton has zero energy at r0
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2022-12-22 07:10:48 -05:00 |
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4cbe8b353b
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move shared functionality to utility function added to Lepton library
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2022-12-22 05:37:59 -05:00 |
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3bb6e1ab19
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Merge branch 'develop' into lepton-package
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2022-12-22 04:45:51 -05:00 |
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ea8d90059a
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Merge pull request #3566 from akohlmey/collected-small-changes
Final collection of small changes for next patch release
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2022-12-22 02:21:06 -05:00 |
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5da8242690
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add bond style lepton
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2022-12-22 02:13:51 -05:00 |
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966211bb53
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avoid conflicting names
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2022-12-22 02:13:28 -05:00 |
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73c95d43af
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whitespace
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2022-12-21 22:33:15 -05:00 |
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46f514d2ca
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add support for writing binary restart files
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2022-12-21 22:30:05 -05:00 |
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4293771ae8
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silence compiler warnings
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2022-12-21 21:53:25 -05:00 |
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e2f9d59484
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whitespace fixes
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2022-12-21 21:34:56 -05:00 |
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cf0fb7f5df
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build system updates for presets and dependencies
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2022-12-21 21:32:27 -05:00 |
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8511aae211
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add OPENMP package version of pair style lepton
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2022-12-21 21:18:20 -05:00 |
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c64066eb21
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simplify processing of expressions
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2022-12-21 21:16:59 -05:00 |
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969ac57256
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make expression string compact and easier restartable by removing quotes and whitespace
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2022-12-21 21:16:23 -05:00 |
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6c5a698be4
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try to speed up compute kernel
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2022-12-21 19:24:28 -05:00 |
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2cf1793a93
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add unit test for pair style lepton
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2022-12-21 18:29:11 -05:00 |
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76a84d7865
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add pair style lepton
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2022-12-21 18:28:57 -05:00 |
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5f934e3eae
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add LEPTON package build system support for CMake
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2022-12-21 18:28:35 -05:00 |
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c44e87d87a
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avoid name conflict with COLVARS package
|
2022-12-21 18:28:04 -05:00 |
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517a2e5e26
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import Lepton library with namespace and header changed to LMP_Lepton
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2022-12-21 14:18:39 -05:00 |
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b6701f1892
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improve error messages
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2022-12-21 12:11:34 -05:00 |
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