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0f792b0434
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cast return value to void to indicate that we want to ignore the result
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2024-08-13 12:36:43 -04:00 |
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1035dcf735
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get rid of ATOBIGINT
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2024-07-30 01:18:22 -04:00 |
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1c4ab13f01
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merge with current develop
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2023-10-20 13:31:32 -06:00 |
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21d3f3240e
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more work on restart support
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2023-09-16 10:09:26 -06:00 |
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c5b2d66283
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upgrades to read/write data commands
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2023-09-15 16:49:56 -06:00 |
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8bde9ffd53
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silence compiler warning
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2023-09-08 11:42:34 -04:00 |
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1ed8dd6906
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add general triclinic options to dump custom
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2023-09-04 15:26:55 -06:00 |
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43d1d8c86b
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make atom_modify map settings in restart file overridable
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2023-08-30 23:51:25 -04:00 |
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a81412f015
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remove MPIIO sources and references to them. update Purge.list and build systems
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2023-08-20 21:51:33 -04:00 |
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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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3ce79f8da3
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strip style suffixes when writing restart files if suffixes are enabled
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2022-11-24 11:51:58 -05:00 |
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4392b9c8cb
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store LAMMPS version of restart, if initialized from restart file
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2022-11-10 02:24:50 -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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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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b4410fa72a
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Merge branch 'develop' into type-labels
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2022-09-09 16:31:38 -04:00 |
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d2587cd45e
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print an error if the filename before '*' is too long for the regex matcher
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2022-09-07 21:06:01 -04:00 |
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363b80f85c
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begin unfeaturing multiple label maps feature
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2022-08-09 01:01:31 -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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7d49ad5924
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enable remap for restarting by default, add noremap option
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2022-06-21 19:42:17 -04:00 |
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0bedff1ce0
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implement set_time command
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2022-05-03 13:15:52 -04:00 |
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198d07e905
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print warning when fix property/atom is issues before reading a restart
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2022-04-14 11:06:35 -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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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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2e362b1f3f
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use get_(fix|compute)_by_id() instead of find_(fix|compute)()
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2021-10-20 06:56:46 -04:00 |
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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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5128eb7b43
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port read/write_restart to use the platform namespace
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2021-10-05 16:35:37 -04:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -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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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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385220fd4b
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format changes
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2021-09-17 22:50:15 -04:00 |
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2a06484511
|
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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cba8e8237a
|
avoid memory leak with MPI-IO
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2021-08-13 06:25:21 -04:00 |
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211d6636b4
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modernize and simplify code to find best matching restart file
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2021-07-29 12:09:55 -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
|
2021-05-24 14:18:20 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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d1941392d3
|
disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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22e93468d6
|
simplify code by appling varargs messages and warnings
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2021-05-05 18:19:12 -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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6b04ebd617
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Merge branch 'master' into varargs-log-error-functions
|
2021-04-26 13:27:58 -04:00 |
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e9e0bb71b6
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Use varargs version of Error:all() and Error::one() where applicable
|
2021-04-25 21:30:51 -04:00 |
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ef858ae70f
|
silence compiler warnings
|
2021-04-23 16:19:57 -04:00 |
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d2cdb318ab
|
apply new logmesg() overload to a bunch of cases.
|
2021-04-21 23:38:45 -04:00 |
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4ed57cb757
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Merge pull request #2705 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2021-04-16 17:07:39 -04:00 |
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6e739c04e4
|
use safe fread() call
|
2021-04-14 20:02:05 -04:00 |
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b53822da46
|
provide Command base class in command.h for deriving command styles from
|
2021-04-13 17:47:00 -04:00 |
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8e255f619b
|
compiler issues
|
2021-01-29 19:12:26 -05:00 |
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797555b5ce
|
toward multiple maps
|
2021-01-28 23:44:02 -05:00 |
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