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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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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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e13a70ad2f
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Merge branch 'develop' into type-labels
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2022-03-23 01:08:35 -04:00 |
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f1d695299e
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simplify checking for intel neighbor list requests
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2022-03-05 20:31:56 -05:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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b42aebc197
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silence compiler warnings
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2022-02-13 18:19:50 -05:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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0bf941219f
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silence compiler warnings
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2022-01-27 17:21:50 -05:00 |
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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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ede7787741
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Refactor Atom::data_bodies()
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2022-01-04 11:56:56 -05:00 |
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f557bf6e20
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implement suggestion by @rbberger
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2022-01-04 11:37:32 -05:00 |
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c17a183816
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do error checking already in read_data code
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2021-12-31 14:34:09 -05:00 |
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6d9764e140
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add missing advance of buffer pointer
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2021-12-31 00:14:52 -05:00 |
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e6e9aed385
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modernize/correct parsing for Bonus and Bodies sections
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2021-12-30 22:58:14 -05:00 |
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8d53cd1e5d
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modernize parsing of Velocities section of data files
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2021-12-30 19:14:09 -05:00 |
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7f2b505df3
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apply utils overloads
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2021-12-30 11:14:48 -05:00 |
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64d6a2fd1f
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modernize parsing of the Atoms section
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2021-12-29 20:24:27 -05:00 |
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c97483c46f
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modernize parsing of the Masses section in data files
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2021-12-29 19:36:18 -05:00 |
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78df5c2258
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modernize parsing of Bonds/Angles/Dihedrals/Impropers section of data files
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2021-12-29 19:18:42 -05:00 |
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44522221ad
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mass command, type label error check
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2021-12-08 16:28:17 -05:00 |
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5945e578b8
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direct type label support for mass command
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2021-12-08 16:04:22 -05:00 |
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ddf97fa8fc
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tweak error messages
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2021-11-24 15:34:43 -05:00 |
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3fc47a9366
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read_data: bond, etc. direct label support
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2021-11-07 00:51:55 -04:00 |
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9952526724
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allow type labels for atom types in data file
allow strings for atom types in Atoms section!
bonds, etc. will be more elegant
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2021-11-05 01:30:21 -04:00 |
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8d4956046b
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Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
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2021-11-04 21:20:29 -04:00 |
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f5626a2b9d
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Few more merge conflicts
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2021-11-02 12:29:49 -06:00 |
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d7f7835069
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Fix merge conflicts, minor style fixes
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2021-11-01 18:13:06 -06:00 |
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c8512249b7
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Merge branch 'develop' into modify-fix-compute-accessors
# Conflicts:
# src/PLUGIN/plugin.cpp
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2021-10-27 21:14:05 -04:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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5b40e4cb38
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new accessor APIs for fixes and computes in Modify plus a few applications
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2021-10-16 06:00:28 -04:00 |
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f4851e9103
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change check for reset image flags to print messages only once per data file
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2021-10-13 21:54:18 -04:00 |
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67ae6eb7b6
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Merge branch 'lammps:master' into type-labels
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2021-09-30 09:44:18 -04:00 |
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41a3eccd1c
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apply utils::logical() to more commands
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2021-09-21 07:48:50 -04:00 |
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12406b90a1
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more iwyu header updates
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2021-09-18 21:24:01 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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94f83c172a
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simplify and modernize code a little
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2021-09-15 23:15:14 -04:00 |
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7d92d665e8
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use explicit scoping when virtual dispatch is not available.
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2021-09-15 16:08:17 -04:00 |
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9c301822fd
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use nullptr
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2021-09-15 14:57:10 -04:00 |
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d4930df464
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correct the return value type
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2021-09-03 14:51:19 -05:00 |
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5be5a158de
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passing strings by reference
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2021-09-01 12:33:47 -05:00 |
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bb720626e3
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Adding files for BPM
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2021-08-27 09:22:56 -06:00 |
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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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eaf5e08542
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detect invalid use and silence compiler warnings
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2021-08-24 14:27:20 -04:00 |
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2a06484511
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master2
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2021-08-20 10:53:04 -04:00 |
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845cebaab1
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Add comment
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2021-08-19 14:02:57 -06:00 |
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7d0c052425
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Fix deallocation with Kokkos
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2021-08-19 14:00:37 -06:00 |
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b19a211d70
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update code
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2021-08-18 18:06:21 -04:00 |
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1e37d1ad7f
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pretty
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2021-08-18 14:34:03 -04:00 |
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e08c4abb4b
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whitespace fixes
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2021-08-18 13:06:00 -04:00 |
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e6af1eecb8
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resolved merge conflicts with master
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2021-08-17 11:55:33 -06:00 |
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