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1c7e1faeff
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add sections on inheritance, compositing, polymorphism
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2022-02-13 16:01:14 -05:00 |
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6887a16fa1
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start add general code design doc.
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2022-02-13 16:00:51 -05:00 |
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d85788305d
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update manual
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2022-02-12 10:37:09 -05:00 |
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75dc7125e6
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Update doc of pair sw/mod
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2022-02-12 06:12:12 +02:00 |
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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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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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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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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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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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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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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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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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6af36075ba
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Merge pull request #3064 from rbberger/collected-small-changes
Collected small changes and fixes
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2021-12-23 16:13:35 -05:00 |
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23f1c9de60
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Merge branch 'develop' into time-dumps2
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2021-12-23 14:29:04 -05:00 |
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3748a14582
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warn about problems with the MPIIO package
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2021-12-23 01:59:45 -05:00 |
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09944f5d7a
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Merge pull request #2996 from stanmoore1/compute_phase
Add compute ave/sphere/atom
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2021-12-22 21:16:25 -05:00 |
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8f62cd79f4
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add missing list entry
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2021-12-22 19:55:06 -05:00 |
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cde7dd34fd
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Doc update
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2021-12-21 16:46:53 -07:00 |
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1bbf45784b
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Rename and relocate
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2021-12-21 16:29:11 -07:00 |
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5932a3f6f9
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Merge branch 'develop' of github.com:lammps/lammps into big_dump_sort
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2021-12-21 12:58:24 -07:00 |
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8ed35832f4
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Merge branch 'develop' into time-dumps2
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2021-12-21 14:16:23 -05:00 |
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e06222099a
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Small tweak to docs
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2021-12-21 11:51:30 -07:00 |
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ded48cc031
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more optimizations and extend to other dump styles
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2021-12-21 10:57:42 -07:00 |
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