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59eadfecc4
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removed print statements
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2022-06-01 17:38:03 +01:00 |
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ee6e18f08e
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Merge branch 'develop' into schererc/develop
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2022-06-01 12:07:06 -04:00 |
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b85b3e1f4c
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fix doc file names and links
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2022-06-01 12:06:56 -04:00 |
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b89acb15a6
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fixed segment orientation for exact segmeent-segment calculation
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2022-06-01 16:51:56 +01:00 |
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95a979c657
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examples/PACKAGES: rename pair_sw_3b_table to pair_sw_angle_table
including all input and documentation files
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2022-06-01 16:34:10 +02:00 |
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e8d9bf0507
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examples/PACKAGES: renamed pair_3b_table to pair_threebody_table
including all input and documentation files
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2022-06-01 16:30:37 +02:00 |
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3a19b1eb4b
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Update pair_style.rst
pair_style.rst: update due to name changes from 3b/table to threebody/table and sw/3b/table to sw/angle/table
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2022-06-01 16:16:13 +02:00 |
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f6fab8365a
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Update Commands_pair.rst
Commands_pair.rst: update due to name change from 3b/table to threebody/table and sw/3b/table to sw/angle/table
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2022-06-01 16:14:37 +02:00 |
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64d67f7604
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Update pair_sw_angle_table.rst
pair_sw_angle_table.rst: minor correction
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2022-06-01 16:12:13 +02:00 |
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c1e301ac1a
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Update pair_3b_table.rst
changed documentation and file name from pair style 3b/table to threebody/table
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2022-06-01 16:11:47 +02:00 |
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a833baac80
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Update pair_sw_angle_table.cpp
Minor correction in pair_sw_angle_table.cpp
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2022-06-01 16:04:09 +02:00 |
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187ccdd222
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Update and rename pair_3b_table.cpp to pair_threebody_table.cpp
changed pair 3b/table to pair threebody/table including name of .cpp file
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2022-06-01 16:03:06 +02:00 |
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5756dedfed
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Update and rename pair_3b_table.h to pair_threebody_table.h
changed pair style and file name of header file from 3b/table to threebody/table
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2022-06-01 15:52:46 +02:00 |
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ebce66389e
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Update and rename pair_sw_3b_table.rst to pair_sw_angle_table.rst
changed documentation and file name from sw/3b/table to sw/angle/table
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2022-06-01 14:24:40 +02:00 |
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8dfa4a8682
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Update and rename pair_sw_3b_table.cpp to pair_sw_angle_table.cpp
Changed .cpp file for pair style sw/3b/table to sw/angle/table
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2022-06-01 14:20:30 +02:00 |
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25f24fbab1
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Update and rename pair_sw_3b_table.h to pair_sw_angle_table.h
Renamed header file from sw/3b/table to sw/angle/table
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2022-06-01 14:11:32 +02:00 |
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9da3dd796a
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delete undesired default members instead of making them inaccessible
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2022-06-01 02:30:25 -04:00 |
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5abb6c76af
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small tweak
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2022-06-01 02:13:02 -04:00 |
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59dc63d003
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Add typecasting for consts in tip4p GPU kernels
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2022-06-01 01:29:18 +03:00 |
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ef6c48dad7
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Whack tabs
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2022-05-31 14:53:17 -06:00 |
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b675372d99
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Use MIN_SINE and add comment
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2022-05-31 14:44:18 -06:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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3b4e698421
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Merge branch 'develop' of github.com:lammps/lammps into kk_3280
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2022-05-31 12:38:03 -06:00 |
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77835a4258
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Port changes in #3280 to Kokkos
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2022-05-31 12:36:04 -06:00 |
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7c0c7ce93c
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Merge pull request #3281 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2022-05-31 13:10:35 -04:00 |
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b8599ccb42
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fix small local vs. ghost atom access inconsistency in pair style bop
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2022-05-31 11:52:16 -04:00 |
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de5c2629ac
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small tweak
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2022-05-31 06:53:19 -04:00 |
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3f332ab0c1
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step version strings for next patch release
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2022-05-31 06:51:13 -04:00 |
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4b2509beed
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Merge branch 'develop' into tip4p_bug
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2022-05-30 18:54:28 +03:00 |
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9b73c66ec6
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Reduce increased comm cutoff
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2022-05-30 18:44:53 +03:00 |
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cc86e9e8a8
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remove windows+gcc test (for now)
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2022-05-29 19:56:39 -04:00 |
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fa79a66734
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feof() returns non-zero not necessarily 1
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2022-05-29 19:53:11 -04:00 |
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562cd12d82
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revert github action build to LAMMPS repo and develop branch
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2022-05-29 15:04:41 -04:00 |
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763b323f7c
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added exact segment-segment calculation, energy works, forces don't and no optimisation
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2022-05-29 10:55:36 +01:00 |
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90730f0d3c
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update windows version history
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2022-05-29 02:01:21 -04:00 |
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5318ce9b74
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compute snapneigh gets atom and neighbor indices
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2022-05-28 20:08:58 -06:00 |
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4c36c79652
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remove feature for automatic jpeg/png/zlib library download and build
this is a post-stable feature and would require a general rewrite of offline processing
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2022-05-28 15:20:22 -04:00 |
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d4f1b702a2
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Working derivative extraction.
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2022-05-28 10:31:45 -06:00 |
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81c327edd8
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add missing override. remove redundant functionality and disable warnings differently
this removes an inconsistent overload due to mismatch of arguments
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2022-05-28 11:56:26 -04:00 |
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86787cfc6c
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whitespace and clang-format for headers
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2022-05-28 11:28:13 -04:00 |
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9f7f043e83
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whitespace
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2022-05-28 11:23:45 -04:00 |
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e8dfb2fc38
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fix off-by-one bug
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2022-05-28 09:23:08 -04:00 |
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a8eb248b1e
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reduce compiler warnings. avoid uninitialized data access. consolidate labeling
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2022-05-28 09:19:35 -04:00 |
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14a9d34838
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fix compilation issues
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2022-05-28 05:57:06 -04:00 |
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97fab45f7e
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Merge branch 'develop' into amoeba-ak
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2022-05-28 05:24:02 -04:00 |
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d4904dd5fc
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Merge branch 'amoeba' into amoeba-ak
# Conflicts:
# src/AMOEBA/amoeba_dispersion.cpp
# src/AMOEBA/angle_amoeba.cpp
# src/AMOEBA/pair_amoeba.cpp
# src/pair.h
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2022-05-28 05:23:19 -04:00 |
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d0edd7129c
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update workflows
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2022-05-28 04:55:27 -04:00 |
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3615639bdd
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Check for a working internet connection.
With this check we only do automatic downloads if the check passes
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2022-05-28 04:55:10 -04:00 |
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e2dd08a93e
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Better handle file- or path-names with spaces
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2022-05-28 04:55:10 -04:00 |
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5f811f852f
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stop with detailed parser error message with incorrect potential tables
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2022-05-28 04:45:52 -04:00 |
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