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f6bdf5662e
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Update pair_granular.rst
Correct formula for tangent stiffness, consistent with `PairGranular::mix_stiffnessG()`
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2019-12-06 10:40:04 -06:00 |
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b1668f28dd
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Merge pull request #1674 from rbberger/library_interface_update
Expose neighbor lists via library interface - Second iteration
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2019-12-04 11:11:50 -07:00 |
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e08ba3f11e
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Merge branch 'master' into library_interface_update
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2019-12-03 12:51:17 -05:00 |
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1d92840918
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Merge pull request #1792 from akohlmey/library-define-fix
Improve handling of LAMMPS integer size defines in library.h
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2019-12-02 08:48:34 -07:00 |
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2f4adfc0c8
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Merge pull request #1786 from rbberger/doc_command_tables
Add Sphinx extension to generate tables from lists
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2019-12-02 08:07:22 -07:00 |
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dfcb4edca7
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Fix trailing whitespace
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2019-12-01 15:42:46 -05:00 |
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73a4c58ba1
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Merge branch 'master' into doc_command_tables
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2019-12-01 15:40:52 -05:00 |
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3ce020eab2
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Merge pull request #1779 from athomps/compute-snap
Compute snap
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2019-12-01 12:52:22 -07:00 |
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acf02bb1a3
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Revert split of Commands_bond.rst as requested by @sjplimp
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2019-12-01 14:50:29 -05:00 |
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3611a75ce0
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Merge pull request #1771 from julient31/zeeman-rework
Adding test examples for the SPIN package and correcting some bugs
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2019-12-01 09:10:25 -07:00 |
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99a6678955
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Merge pull request #1787 from akohlmey/collected-small-changes
Collected small changes
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2019-12-01 08:14:41 -07:00 |
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c5fc920881
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Merge pull request #1784 from LucienPan0903/master
Patch of class2 dihedral in OMP and Kokkos
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2019-12-01 08:11:58 -07:00 |
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9140700701
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rather than abort with an error, assume -DLAMMPS_SMALLBIG if no define is set
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2019-11-29 10:37:30 -05:00 |
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0c29c2827a
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check if one of the required defines is set and correct dependent API check
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2019-11-29 10:16:22 -05:00 |
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a5be6e5c55
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Merge pull request #1789 from evoyiatzis/patch-2
Patch 2
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2019-11-27 14:11:46 -07:00 |
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5c93b6ad6f
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Update docs: compute_spin, fix_precession_spin, pair_spin_exchange, pair_spin_neel
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2019-11-27 15:17:11 -05:00 |
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e3da3cadad
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Remove magic numbers and additional data types in extract_global
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2019-11-27 10:51:09 -05:00 |
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b49957c191
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Fix memory leak
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2019-11-27 10:50:41 -05:00 |
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1f83c7d037
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Commit JT 112719
- correcting 'neighbours' in doc
- modifying README is src/SPIN
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2019-11-27 06:26:34 -07:00 |
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60d5244526
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Remove the const of costh12, costh13 costh23 in KOKKOS class dihedral
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2019-11-26 18:05:06 -05:00 |
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d806ee5d7e
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Fixes misleading indentation
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2019-11-26 17:25:51 -05:00 |
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3aed4eb74c
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Update Howto_pylammps.rst
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2019-11-26 21:52:31 +01:00 |
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3bd3c7a196
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remove compute head/flux txt style docs as it is out of sync with the rst version
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2019-11-26 14:48:08 -05:00 |
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3b6a42dc79
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clarify the impact of the lack of potential energy in pair style agni
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2019-11-26 14:46:32 -05:00 |
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a171efa149
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Resolve merge conflict by merging in master and recreating Commands_compute.rst
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2019-11-26 08:20:42 -05:00 |
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2e4f514d40
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Fixed some minor errors and omissions
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2019-11-25 14:32:37 -07:00 |
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f98a0025d6
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Merge branch 'compute-snap' of https://github.com/athomps/lammps into compute-snap
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2019-11-25 14:00:53 -07:00 |
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4c13001a6f
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Add extension errors that stop the build
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2019-11-24 19:49:59 -07:00 |
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7d289063b4
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Update src/Command*.rst files
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2019-11-24 19:23:16 -07:00 |
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2c33b5589d
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Remove txt/Commands*.txt
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2019-11-24 18:12:24 -07:00 |
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65381d7a69
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Add new table_from_list extension
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2019-11-24 18:11:35 -07:00 |
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8bca0b13f1
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Commit2 JT 112219
- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
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2019-11-22 16:29:37 -07:00 |
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89bb2ef83f
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Commit JT 112219
- improved figure in precession/spin documentation
- corrected other pair/spin interactions
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2019-11-22 12:07:05 -07:00 |
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b606e95364
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Merge branch 'master' of github.com:LucienPan0903/lammps
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2019-11-21 18:08:20 -05:00 |
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54f998bde5
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Patch of Dihedral class2 KOKKOS
Since the costh12, costh13, costh23 and c0 are declared as const,
a hack using const_cast is used to work around this.
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2019-11-21 18:07:17 -05:00 |
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0085aaabd2
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Patch of Dihedral class2 KOKKOS
Since the costh12 costh13 costh13 and costh0 are declared as const,
a hack using const_cast is used to work around this.
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2019-11-21 18:00:18 -05:00 |
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babab9b5f7
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replace non-UTF-8 compliant character with ASCII
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2019-11-21 17:09:24 -05:00 |
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c14ac53306
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Patch of class2 dihedral in OMP and Kokkos
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2019-11-21 12:28:18 -05:00 |
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738f155cc4
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Merge pull request #1777 from akohlmey/next_patch_release
Step version strings for next patch release
patch_20Nov2019
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2019-11-20 12:04:10 -05:00 |
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ae46503b73
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Merge pull request #1782 from akohlmey/last-minute-fixes
Last minute bugfix for the upcoming patch release
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2019-11-20 12:03:32 -05:00 |
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5c7a81128d
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Merge branch 'zeeman-rework' of github.com:julient31/lammps into zeeman-rework
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2019-11-19 15:51:55 -07:00 |
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b4ba356f7b
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Commit JT 111919
- generated fresh log. files in examples
- corrected some of the examples
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2019-11-19 15:50:56 -07:00 |
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6b3421c966
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silence compiler warning
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2019-11-19 17:23:03 -05:00 |
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3525c13653
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need to make certain, that cvflag_atom is always initialized
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2019-11-19 16:36:09 -05:00 |
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8f3680039b
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Merge pull request #1704 from donatas-surblys/many-body-atomic-stress-rev
Revised implementation of a new atomic stress definition for correct computation of heat flux with many-body interactions
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2019-11-19 15:53:40 -05:00 |
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280d0defec
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whitespace cleanup
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2019-11-19 15:35:31 -05:00 |
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2a943241ae
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update doc/src/.gitignore
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2019-11-19 15:33:44 -05:00 |
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3dc8b7b6e5
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update rst files with changes to .txt versions
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2019-11-19 15:30:30 -05:00 |
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3b6fa078c2
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Merge branch 'master' into zeeman-rework
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2019-11-19 15:29:21 -05:00 |
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a0c51b40b9
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Commit2 JT 111919
- renaming validation directory
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2019-11-19 12:54:30 -07:00 |
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