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e5dec93a1e
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Update doc of pair ilp/graphene/hbn
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2022-02-12 06:09:29 +02:00 |
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922b240678
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Interlayer Potential for TMDs and Metal Surfaces
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2022-02-12 06:05:11 +02:00 |
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ea94095bf6
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Change email in docs
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2022-02-11 12:51:47 -05:00 |
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60d03f34cc
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update create.f with changes from NIST database
also add parameters for Cr and document in README file and change
the code to create output files with .eam.alloy extension
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2022-02-10 14:41:25 -05:00 |
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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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4d6fcb3a8b
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Merge branch 'develop' of https://github.com/lammps/lammps into Elastic_stress before comiting to pull request
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2022-02-08 16:46:23 +01:00 |
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ba89ad546a
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Tried to make the fusion with Aidan Thomps modification of compute_born + several headers issues (essentially adding override flag to virtual methods)
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2022-02-07 00:12:27 +01:00 |
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caafe2ff26
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bondlist option docs
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2022-02-06 15:31:02 -05:00 |
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bae6526b5f
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Add missing doc entry
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2022-02-04 17:55:37 -05:00 |
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293d529ee9
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Add lammps_flush_buffers() library function
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2022-02-04 10:40:05 -05:00 |
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330dd6a7a8
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Documentation update for maxtries & exclude
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2022-02-03 23:18:51 +01:00 |
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a124ee4f44
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Merge pull request #2233 from charlessievers/OptimizedDynamicalMatrix
Dynamical_matrix and third_order features+update
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2022-01-31 12:57:28 -05:00 |
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c09e3c0890
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Updated documentation
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2022-01-30 16:27:33 -07:00 |
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d79a96caae
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Updated documentation
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2022-01-30 16:18:34 -07:00 |
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0f85809acf
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Created branch on athomps/lammps repo
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2022-01-30 12:37:33 -07:00 |
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dad72a612a
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correct statement (PPPM **does** support triclinic for a while already)
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2022-01-29 08:18:08 -05:00 |
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fbecf0051e
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Merge remote-tracking branch 'upstream/develop' into numdiff-stress
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2022-01-28 18:36:27 -07:00 |
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a9481733a0
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Finished debugging, testing, documenting
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2022-01-28 18:34:30 -07:00 |
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2a3a7c387b
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Merge pull request #3103 from tc387/CR-update
fixed ewald self-energy update and updated documentation
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2022-01-28 16:37:11 -05:00 |
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4225c6c288
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whitespace
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2022-01-28 14:48:34 -05:00 |
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d6a6f64576
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Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
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2022-01-28 14:10:45 -05:00 |
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17cb137f3e
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Merge branch 'master' into OptimizedDynamicalMatrix
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2022-01-28 11:08:31 -08:00 |
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e4fe0a37a1
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fixed ewald self-energy update and updated documentation
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2022-01-27 16:48:22 -06:00 |
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d51017ff50
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Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
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2022-01-26 12:04:44 -05:00 |
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0b693e729d
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Whitespace
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2022-01-24 17:33:36 -07:00 |
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c914fc6baf
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Small doc tweak
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2022-01-24 16:33:11 -07:00 |
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67af170929
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Sorting is not required for balancing
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2022-01-24 16:22:55 -07:00 |
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aeb25b5a37
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Tweak docs
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2022-01-24 15:28:40 -07:00 |
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1d60e4c463
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Add docs
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2022-01-24 15:16:49 -07:00 |
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5142934a26
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update to modern matrix representation
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2022-01-22 16:38:58 -05:00 |
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78ed631877
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spelling
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2022-01-22 16:30:03 -05:00 |
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fa88dacd7b
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integrate into manual and build/source code system. apply conventions
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2022-01-22 16:29:48 -05:00 |
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7aed8954a5
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Add paragraphs in Modify_style.rst
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2022-01-22 11:03:44 -05:00 |
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3ff1902b57
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Renamed born method born_matrix in all classes. Changed compute_born to compute_born_matrix. Changed the compute coding to suit the LAMMPS style rules better.
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2022-01-21 18:39:16 +01:00 |
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3311b1344c
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consolidate pair-wise vs pairwise spelling
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2022-01-21 10:48:35 -05:00 |
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3a6bd2e698
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update comment about pair_write restrictions
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2022-01-21 10:47:49 -05:00 |
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f420bce07e
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First commit of the Elastic constant computation compute modification
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2022-01-20 09:52:24 +01:00 |
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1e7969c7b9
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add new pair styles harmonic/cut and harmonic/cut/omp
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2022-01-15 19:34:47 -05:00 |
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524d86605a
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Fixing reference in documentation
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2022-01-12 10:56:30 -07:00 |
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19abc5d329
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Merge branch 'develop' into BPM
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2022-01-12 10:52:11 -07:00 |
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1f924e9fc1
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Merge pull request #3071 from akohlmey/collected-small-changes
Collected small changes and bug fixes
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2022-01-06 19:22:30 -05:00 |
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8e0622d523
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Merge pull request #3046 from donatas-surblys/centroid-stress-constraint-rigid
Centroid atomic stress for shake, rattle and rigid/small
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2022-01-05 12:36:27 -05:00 |
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e5416a9fee
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update documentation for new centroid stress for shake and rigid/small
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2022-01-05 19:02:25 +09:00 |
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8439f87b76
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make consistent with other reference
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2022-01-03 18:26:56 -05:00 |
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de404d1ed8
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Merge branch 'update_doc_file' of github.com:jddietz/lammps into collected-small-changes
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2022-01-03 18:26:01 -05:00 |
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a9a568aefa
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Updated references for pair_nm.rst
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2022-01-03 11:50:04 -10:00 |
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90726ca088
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explain that the computed force in python pair is force/r same as in Pair:single()
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2022-01-03 10:12:51 -05:00 |
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f3c5593c50
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correct code example
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2022-01-01 16:40:54 -05:00 |
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cf9429dc68
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implement overloads so that utils::*numeric() functions can be safely used with std::string()
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2021-12-30 11:03:37 -05:00 |
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b39d1993bb
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Merge pull request #3052 from lammps/time-dumps2
Time-dependent dumps for variable timestep (alternate implementation)
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2021-12-23 16:34:12 -05:00 |
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