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12d7ef541b
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Need both versions of join
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2022-04-11 15:13:44 -06:00 |
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804c43b33c
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Merge branch 'develop' of github.com:lammps/lammps into fix_volatile
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2022-04-11 15:11:37 -06:00 |
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c939316b99
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Added check for grid points outside subdomain
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2022-04-11 14:52:35 -06:00 |
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bae9ef7e56
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Added check for grid points outside subdomain
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2022-04-11 14:51:15 -06:00 |
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429163d2b2
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Added check for grid points outside subdomain
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2022-04-11 14:47:14 -06:00 |
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ef53298f7c
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Added the omp version of pair lj/cut/coul/debye/dielectric
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2022-04-11 15:45:12 -05:00 |
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73d4d243f4
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revert force flip on couple of files
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2022-04-11 13:53:47 -06:00 |
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82e5b46361
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fix bug with xyz multipole axes
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2022-04-11 13:46:29 -06:00 |
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b05aadf877
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Allowed to set the atom local dielectric values (epsilon)
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2022-04-11 14:18:43 -05:00 |
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9d907e31b3
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recover compilation
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2022-04-11 12:40:59 -04:00 |
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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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8161dff58a
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Added pair style lj/cut/coul/debye/dielectric, added conversion factor epsilon02eq for real units
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2022-04-11 10:54:41 -05:00 |
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ebc74d7428
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Indice correction in EXTRA-COMPUTE/compute_born_matrix.cpp, some PBC check in EXTRA-MOLECULE/dihedral_nharmonic.cpp and MOLECULA/angle_cosine.cpp. Also added born_matrix to angle_cosine.cpp
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2022-04-11 17:53:48 +02:00 |
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36272b3267
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added buckling angle_style header file
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2022-04-11 11:01:56 +01:00 |
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add992d0dc
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added viscous damping addition to mesocnt pair_style
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2022-04-11 11:01:15 +01:00 |
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d6f7570d57
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avoid redundant use of boolean literals
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2022-04-10 20:47:31 -04:00 |
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74f2b67b1a
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no if statement required before delete[]
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2022-04-10 19:55:24 -04:00 |
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3eec2eec9a
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make buffer size a compile time constant and use strncpy() instead of strcpy()
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2022-04-10 18:33:17 -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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413a01ade5
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apply clang-tidy updates
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2022-04-10 12:07:54 -04:00 |
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a9f5a1af51
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initialize class member pointers in initializer to null
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2022-04-10 11:13:33 -04:00 |
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85b69000cd
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revert to use NULL instead of nullptr, so that it compiles without having to enable c++11 compatibility
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2022-04-09 20:54:59 -04:00 |
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ddf67ec42d
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properly use nullptr on pointers (with a little help from clang-tidy)
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2022-04-09 20:27:40 -04:00 |
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2d346638fb
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correctly declare and override virtual functions for desired polymorphism
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2022-04-09 20:17:36 -04:00 |
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a620f5bd7d
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fix pointer type bug
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2022-04-09 19:59:43 -04:00 |
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07bc76871c
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avoid unsafe strcpy()
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2022-04-09 19:01:42 -04:00 |
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4adeb29491
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clang-tidy fixes
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2022-04-09 19:00:59 -04:00 |
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177f9cabc1
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add ELECTRODE package to suitable presets
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2022-04-09 18:19:55 -04:00 |
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4e81adaf8c
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make buffer size for text file reader adjustable
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2022-04-09 17:46:47 -04:00 |
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420dc969d3
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need to set buffer size based on generated output format
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2022-04-09 17:26:41 -04:00 |
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eb9af11d64
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make buffer size for text file reader adjustable
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2022-04-09 17:26:03 -04:00 |
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b20c98753f
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style changes
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2022-04-09 10:10:33 -04:00 |
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44ccbd2184
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use internal reader/parser classes for file reading and writing
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2022-04-09 10:10:19 -04:00 |
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06fc53ac69
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make timer output configurable and off by default
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2022-04-09 10:08:58 -04:00 |
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75d87383e2
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one more OpenMP fix
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2022-04-09 09:10:45 -04:00 |
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a04c0077b9
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silence some more compiler warnings and try to resolve issues with old compilers
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2022-04-09 09:04:17 -04:00 |
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8625a6d946
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apply clang-format
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2022-04-09 08:00:11 -04:00 |
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ce62da1cca
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compatibility with legacy OpenMP implementations
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2022-04-09 07:53:17 -04:00 |
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71f8e11d70
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join multi-line strings
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2022-04-09 07:45:01 -04:00 |
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a94fa0a840
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formatting
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2022-04-09 07:44:33 -04:00 |
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7673eda947
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apply clang-format
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2022-04-09 07:16:22 -04:00 |
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6dea9fa10c
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add missing dependency handling in GNU make build for ELECTRODE package
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2022-04-09 07:10:31 -04:00 |
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c04db4b545
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modernize
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2022-04-09 07:01:42 -04:00 |
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e0c4f6164e
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silence compiler warnings
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2022-04-09 07:01:35 -04:00 |
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cab6fca22e
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update to latest upstream and modernize neighbor list request handling
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2022-04-09 07:00:39 -04:00 |
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19b42bc726
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Merge branch 'develop' into electrode
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2022-04-09 06:31:22 -04:00 |
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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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8b53ff9383
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Merge pull request #2921 from lammps/mdi-expand
Enhance MDI support in LAMMPS in its MDI package
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2022-04-09 00:18:50 -04:00 |
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d0d4bbf5ae
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Merge pull request #3196 from akohlmey/avoid-bigint-format-scanf
Refactor code to avoid XXXINT_FORMAT defines and xxscanf() function calls
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2022-04-08 21:24:57 -04:00 |
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