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4ba604fd37
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Merge branch 'collected-small-changes' into reset-command
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2022-11-23 13:38:40 -05:00 |
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13fcbeda18
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remove "box" command
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2022-11-21 13:46:59 -05:00 |
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0635a46891
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generalize meta command processing. make better use of std::string class
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2022-11-17 22:09:52 -05:00 |
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612a2b2711
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add reset meta-command
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2022-11-17 21:39:32 -05:00 |
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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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4f3f2412fb
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replace Input::readtype() with utils::expand_type()
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2022-09-05 06:16:18 -04:00 |
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f9717049b1
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Merge branch 'develop' into type-labels
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2022-08-08 17:16:50 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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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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df02598fc1
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convert one more factory template
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2022-02-11 18:38:36 -05:00 |
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576f2266ae
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Mark virtual destructors in derived as override
Following C++ Core Guideline C.128
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2022-01-18 14:28:25 -05:00 |
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83a978d69b
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error messages
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2021-12-07 23:32:14 -05:00 |
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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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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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b124de3484
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2021-06-07 22:48:51 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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0beac58e21
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some file permissions
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2021-04-27 15:38:39 -04:00 |
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1e294111e7
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2021-04-27 14:46:33 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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592490be4e
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add unload/list commands
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2021-03-10 09:50:28 -05:00 |
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27a81ffc86
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add initial version of a plugin loader interface (for pair styles)
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2021-03-09 15:34:48 -05:00 |
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b92adfaf6f
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pointer and style issues
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2021-01-31 14:59:10 -05:00 |
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a119164496
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add utf-8 check, substitution, and warning to Input::parse() function
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2021-01-25 20:53:59 -05:00 |
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5d2e3b3ecb
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direct support for coeff commands
pair_coeff, bond_coeff, angle_coeff, dihedral_coeff, improper_coeff
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2021-01-25 20:08:25 -05:00 |
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739dc46fab
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type labels: restart support
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2021-01-19 21:52:22 -05:00 |
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e138cf2476
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add labelmap command
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2021-01-15 21:46:40 -05:00 |
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f88f4cd60e
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more include file updates
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2020-09-02 21:44:04 -04:00 |
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741a1d1fc9
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move Input::expand_args() to utils::expand_args()
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2020-08-29 18:32:10 -04:00 |
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73a7fb53ff
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add infrastructure and first example for testing standalone LAMMPS input commands
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2020-06-16 12:52:35 -04:00 |
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7ace10238d
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change interface to Input::write_echo() to accept const std::string
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2020-06-11 10:23:44 -04:00 |
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1930a8fd00
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make some more use of {fmt} in lammps.cpp
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2020-05-27 05:29:42 -04:00 |
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b6b022b610
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whitespace cleanup: remove trailing blanks
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2019-11-03 11:03:39 -05:00 |
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6833d6def6
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Merge branch 'master' into kim-simulator-models
# Resolved Conflicts:
# src/KIM/kim_query.cpp
# src/KIM/pair_kim.cpp
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2019-07-29 20:43:10 -04:00 |
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ea4107c4b4
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add write_echo() method to Input class for logging implicit commands where the echo command would send explicit ones
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2019-07-29 16:36:57 -04:00 |
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03d26f6f6f
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Merge branch 'master' into kim-simulator-models
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2019-07-21 13:59:48 -05:00 |
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06dcc9e283
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Merge branch 'master' into improve-include-consistency
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
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2019-07-09 14:50:00 -04:00 |
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6fc5810bb4
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with the refactored include handling we can allow include in if/then/else
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2019-07-02 01:31:19 -04:00 |
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4ec3a508fc
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bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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483353a017
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Merge remote-tracking branch 'lammps/master' into kim-simulator-models
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2019-06-24 15:35:06 -05:00 |
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d10fdda676
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simplify nested include file handling
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2019-06-23 17:53:52 -04:00 |
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36649f0534
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add workaround for handline include files
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2019-06-23 16:47:12 -04:00 |
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c6d0f807b5
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output messages that would otherwise only show up in logs only when logs are enable for screen or logfile
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2019-06-23 14:13:24 -04:00 |
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02e7dd5716
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also allow %e in format variables of suffix
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2019-05-30 14:52:26 -04:00 |
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1a5c3c6dcb
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add check that allows only %f and %g conversions in variable format strings
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2019-05-30 14:46:07 -04:00 |
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4c021dad37
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port spell fixes to source code
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2018-11-20 00:09:11 -05:00 |
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