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64b5ad8966
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Merge branch 'develop' into amoeba-gpu
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2023-01-24 20:22:59 -05:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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8af77c690c
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Merge branch 'develop' into amoeba-gpu
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2022-12-14 13:16:41 -06:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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082defa862
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change neighbor list defaults to delay=0, every=1, check=yes
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2022-10-14 04:38:30 -04:00 |
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2ef6a59c0a
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Merge branch 'develop' into amoeba-gpu
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2022-10-01 00:38:24 -05:00 |
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6fac8f1688
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remove unused NeighRequest member variable index
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2022-09-22 11:32:14 -04:00 |
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211d5c468e
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fixing merge conflicts
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2022-09-15 14:49:21 -06:00 |
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67f6adebb7
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whitespace fixup with dynamic casts
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2022-09-10 13:26:38 -04:00 |
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1d0db98403
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Fixing merge conflicts
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2022-09-03 12:35:32 -06:00 |
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80257099de
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Adding methods needed to efficiently create bonds
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2022-08-30 10:58:55 -06:00 |
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c7e4346558
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only print neighbor list info if there are neighbor lists
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2022-08-28 07:17:41 -04:00 |
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ff9c02f053
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improved error messages in pair and input.cpp
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2022-08-18 21:08:36 +08:00 |
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5a10b09005
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Merge branch 'improve-errors' of github.com:crackboy88/lammps into improve-errors
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2022-08-18 11:23:27 +08:00 |
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9beb60c713
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improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
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2022-08-18 11:22:36 +08:00 |
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1b979be939
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Merge pull request #3392 from akohlmey/minimize-neighbor-check
Update test for neighbor list settings during minimization
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2022-08-17 20:55:23 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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20b87d3cd4
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Merge pull request #3398 from hammondkd/cite-reminders
Cite reminders
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2022-08-17 15:40:35 -04:00 |
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29e1595fb4
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Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
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2022-08-13 04:51:54 -05:00 |
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c2115c27e8
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regularize a few citation reminders
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2022-08-13 02:10:28 -04:00 |
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98593b4ad5
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Improved from last revision of neighbor.cpp
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2022-08-13 08:35:20 +08:00 |
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6d624b782d
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made some changes on neighbor.cpp
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2022-08-12 12:12:22 +08:00 |
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871a6d5cf7
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more consistent output format
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2022-08-11 07:54:47 -04:00 |
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b465d3c86f
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silence compiler warnings about unused variables
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2022-08-06 19:59:37 -04:00 |
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62d0277f34
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Merge pull request #3341 from stanmoore1/hybrid_cutoffs
Add pair_modify option to allow separate cutoffs for each neigh list …
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2022-07-13 10:51:55 -04:00 |
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5986c607d0
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Add logic to only select intel/omp trim
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2022-07-12 13:37:19 -06:00 |
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d67ab73a89
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Revert 56dc342
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2022-07-12 09:13:07 -06:00 |
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56dc342b5b
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Disable trim from OPENMP and INTEL packages
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2022-07-12 08:25:20 -06:00 |
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f0d8ced6ff
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fix uninitialized variable bug
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2022-07-12 00:03:36 -04:00 |
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51ac15bdc7
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Fix sorting issue
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2022-07-11 17:06:12 -06:00 |
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f795cf0001
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typo
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2022-07-11 11:22:06 -06:00 |
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66b99008ef
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Fix memory issue
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2022-07-11 11:18:54 -06:00 |
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97824a6d46
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Fix logic issue
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2022-07-11 09:04:51 -06:00 |
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ba2999dfbb
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Whitespace
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2022-07-08 10:04:33 -06:00 |
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de274cddef
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Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
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2022-07-07 16:48:03 -06:00 |
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a14f0cfd6c
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Merge branch 'amoeba' into amoeba-gpu, update the gpu pair styles with the base class
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2022-06-28 12:54:27 -05:00 |
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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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814daf7f4f
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fix cut-n-paste error
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2022-05-20 01:06:09 -04:00 |
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bfb126ec7c
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make neighbor list searches optionally check for the request ID
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2022-05-19 23:37:55 -04:00 |
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531e553162
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Merge branch 'amoeba' into amoeba-gpu
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2022-04-22 16:10:24 -05:00 |
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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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1bba1ca2ae
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fix logic bug
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2022-03-10 05:44:31 -05:00 |
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61f5bbd633
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update logic to avoid stall with neighbor list statistic during final summary
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2022-03-10 05:21:53 -05:00 |
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10f8a597c7
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use proper header for access to Kokkos class.
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2022-03-10 01:11:33 -05:00 |
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