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d350f46a2c
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Fixed error in Wurtzite script and added more explanation
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2020-12-07 09:22:34 -07:00 |
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5ea9d97024
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Merge pull request #2498 from rbberger/next_lammps_version
Step version string for next LAMMPS release
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2020-11-30 17:58:01 -05:00 |
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b5d43f1570
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Merge branch 'master' into small_changes
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2020-11-30 15:39:25 -05:00 |
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40dd4e57fb
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Merge pull request #2467 from jrgissing/bond/react-delete_atoms_bugfix
Bond/react: molecule keyword + bugfixes
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2020-11-30 15:35:14 -05:00 |
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ce3c92d52e
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Avoid duplicate doc target
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2020-11-30 14:55:35 -05:00 |
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0f27ba34b0
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whitespace
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2020-11-30 13:33:09 -05:00 |
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5ffba2d2fa
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step version string for next LAMMPS release
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2020-11-30 13:27:35 -05:00 |
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e0c87fc0b6
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Merge pull request #2419 from akohlmey/reset-invalid-image-flags
Reset invalid image flags on read_data
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2020-11-30 12:53:50 -05:00 |
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91f21fcd9e
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Merge pull request #2487 from akohlmey/collected-small-changes
Collected small changes and fixes
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2020-11-30 11:36:23 -05:00 |
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7555c82c09
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Merge pull request #2492 from lammps/balance-neigh-skin
separate cut planes by neigh skin for balance shift
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2020-11-29 17:05:27 -05:00 |
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bddbc516b5
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Merge branch 'master' into collected-small-changes
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2020-11-29 12:26:30 -05:00 |
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76f43f4c57
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Merge pull request #2440 from evoyiatzis/bond_gaussian
Bond & angle styles gaussian
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2020-11-29 10:13:51 -05:00 |
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62f5f3a3b8
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fix whitespace
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2020-11-27 15:17:39 -05:00 |
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5af15984e5
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fix typos and remove false false positive
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2020-11-27 15:16:32 -05:00 |
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2bb05d6f89
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Minor edits in Developer_unittest.rst
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2020-11-25 17:08:39 -05:00 |
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d5d151f34d
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complete first draft of unit test documentation
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2020-11-25 16:51:44 -05:00 |
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2868f37304
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update keyword summary
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2020-11-25 16:51:43 -05:00 |
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f0e4f9932f
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whitespace fixes
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2020-11-25 16:51:43 -05:00 |
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7f6638b681
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more unittest docs
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2020-11-25 16:51:43 -05:00 |
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583d3823d8
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address spelling issues
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2020-11-25 16:51:42 -05:00 |
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a8275e0e51
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fix issues with compute stress/atom docs
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2020-11-25 16:51:42 -05:00 |
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2b6c995e12
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more unittest docs
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2020-11-25 16:51:42 -05:00 |
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bbe50ab5c1
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more documentation for adding unittest
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2020-11-25 16:51:42 -05:00 |
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27144ce0dd
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more details about mass and time units when using reduced units
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2020-11-25 16:51:42 -05:00 |
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a8b60848c3
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small updates.
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2020-11-25 16:51:41 -05:00 |
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36ae363b8b
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Start section in the programmer guide describing how to add unit tests
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2020-11-25 16:51:41 -05:00 |
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800fb167f4
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fix small render issue
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2020-11-25 16:51:41 -05:00 |
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f2dca6d08e
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complete integration into document build and add a few format fixes
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2020-11-25 16:12:27 -05:00 |
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5e75b8d58c
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Merge branch 'master' into jstewa-snl/master
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2020-11-25 16:04:38 -05:00 |
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4bf7ba5016
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address documentation link, spelling, and characterset issues
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2020-11-25 15:57:18 -05:00 |
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abdfcceab2
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Merge branch 'master' into bond_gaussian
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2020-11-25 15:50:54 -05:00 |
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ec662a41de
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Merge branch 'master' of github.com:lammps/lammps into kk_reax_tweaks
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2020-11-25 10:38:07 -07:00 |
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79be140633
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move doc file to correct dir
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2020-11-25 08:12:57 -07:00 |
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1769f1d3a1
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separate cut planes by neigh skin for balance shift
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2020-11-24 09:06:15 -07:00 |
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1a2911c883
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Merge pull request #2420 from rbberger/mpi_tests
Add MPI-enabled unit tests (C/C++ only)
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2020-11-23 10:35:55 -05:00 |
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b8d821e1f9
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Merge pull request #2481 from lammps/energy_virial_constants
Introduce enums for energy and virial flags
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2020-11-23 10:35:20 -05:00 |
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2d69051cdf
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add documentation for sublo/subhi extracted flags. add corresponding entries to get data type.
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2020-11-19 19:24:36 -05:00 |
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371b1a80e3
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add support for '-in none' for multi-partition runs from the library interface
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2020-11-19 18:58:21 -05:00 |
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9306f8a905
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Merge pull request #111 from lammps/master
rebase
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2020-11-19 15:29:08 -05:00 |
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dba84be75a
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Update false_positives.txt
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2020-11-19 13:52:58 -05:00 |
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aa129bc218
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bond/react: update doc terminology
change 'bonding atoms' to 'initiator atoms'
(bonds need not form or break between initiator atoms)
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2020-11-19 13:29:55 -05:00 |
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96db39f08b
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Merge pull request #2450 from jrgissing/molecule-custom_id_order
molecule: use user-provided IDs in molecule files
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2020-11-18 17:52:16 -05:00 |
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0876684780
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energy/virial flags with CENTROID enum
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2020-11-18 12:17:14 -07:00 |
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7507773ead
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Merge pull request #2441 from stanmoore1/kk_fix_shake
Add Kokkos support for fix shake and forward comm on Device for fixes
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2020-11-18 11:17:57 -05:00 |
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898ffc7d80
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Merge branch 'master' into reset-invalid-image-flags
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2020-11-18 10:36:54 -05:00 |
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6ff269b1eb
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Kokkos ReaxFF tweaks
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2020-11-16 15:49:37 -07:00 |
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145d688fa4
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clairfy docs
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2020-11-16 15:09:17 -05:00 |
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d287e11610
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clarify docs
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2020-11-14 16:04:39 -05:00 |
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8e3a556461
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Merge pull request #109 from lammps/master
rebase
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2020-11-14 13:52:16 -05:00 |
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aadc668771
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Fix pair_spin_exchange doc page title
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2020-11-12 11:04:11 -05:00 |
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