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d55eeefc32
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Undo change in library interface breaking compatibility
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2020-11-09 13:47:27 -05:00 |
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c7a10050c2
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Merge pull request #2439 from akohlmey/collected-small-changes
Collected small changes for the next release
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2020-10-22 17:23:49 -04:00 |
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9bc3ccd49a
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fix misplaced "#endif"
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2020-10-22 15:45:24 -04:00 |
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fcd442d751
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simplify code. print warnings only on MPI rank 0. update parameter names
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2020-10-22 15:35:45 -04:00 |
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68b533d1b8
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correct order of functions
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2020-10-22 14:59:55 -04:00 |
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bcf5abccb5
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reorder functions in library.h and library.cpp to match order in manual
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2020-10-22 12:11:42 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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ed885847a3
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expose document and test more atom style property flags
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2020-10-12 20:24:21 -04:00 |
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a684f896de
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rearrange doxygen docs for lammps_extract_settings() and lammps_extract_global()
this replaces two large tables whith multiple small tables that group
parameters by similar context
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2020-10-12 18:59:35 -04:00 |
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57e0e64ffe
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No MPI communicaton after MPI_Finalize() and no MPI_Finalize() unless we are initialized.
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2020-10-09 12:47:13 -04:00 |
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49ebc5ac40
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update versionadded date
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2020-10-08 22:32:08 -04:00 |
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4f4bc427ae
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implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
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2020-10-08 21:50:15 -04:00 |
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50bfb9142d
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add library API to print OS/Compiler info (for use with LAMMPS shell)
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2020-10-07 18:35:59 -04:00 |
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57cc8d6290
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fix incorrectly formatted "notes"
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2020-10-07 18:35:05 -04:00 |
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1098ca8749
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add some more explanation about exceptions from the library interface perspective
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2020-10-07 13:08:49 -04:00 |
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e637c150ba
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add versionadded tags
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2020-10-07 13:08:25 -04:00 |
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355c68f304
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Merge branch 'master' into progguide-axel
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2020-10-06 21:40:43 -04:00 |
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fb1dab6098
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Merge branch 'master' into collected-small-fixes
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2020-10-06 18:00:33 -04:00 |
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1ee9e4eabd
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Merge branch 'master' into progguide-axel
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2020-10-06 17:11:47 -04:00 |
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80a054471d
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Merge branch 'progguide-updates' into progguide-richard
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2020-10-05 19:31:03 -04:00 |
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113db3ac73
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fold group specific query functions into the more generic ID query functions
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2020-10-05 13:41:12 -04:00 |
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9353004e3e
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add APIs to determine of LAMMPS is running and to interrupt a run cleanly
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2020-10-04 11:23:49 -04:00 |
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9dfb715296
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add support for variable names to id introspection in library interface
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2020-10-04 06:01:26 -04:00 |
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1988e4c24c
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add introspection for various kinds of IDs
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2020-10-03 23:38:02 -04:00 |
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a2f7aae6db
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add API to query group names
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2020-10-03 12:26:17 -04:00 |
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01c85a3032
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correct embedded docs
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2020-10-03 12:25:56 -04:00 |
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4cf30ceda1
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silence compiler warnings
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2020-10-03 09:52:00 -04:00 |
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af8f8d3c11
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avoid segfault
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2020-10-03 09:51:42 -04:00 |
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22cbac0b01
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initial version of LAMMPS shell. without build system support (yet).
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2020-10-03 09:49:35 -04:00 |
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52c6353f86
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Fix typo
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2020-10-02 15:09:29 -04:00 |
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a79a7b2704
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fix typo reported on lammps-users
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2020-09-30 21:24:55 -04:00 |
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29a7d598ac
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update formatting style to be more consistent
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2020-09-21 02:04:58 -04:00 |
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4c51a8ae57
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move version and num_ver from Universe to LAMMPS and make num_ver an int
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2020-09-19 11:37:08 -04:00 |
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e1397b9a88
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Merge branch 'master' into collected-small-changes
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2020-09-18 16:11:47 -04:00 |
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635b7c04a5
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Update docs and docstrings
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2020-09-18 14:49:25 -04:00 |
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9a6dfbc0ee
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add some cross referencing
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2020-09-18 13:45:33 -04:00 |
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e0b22a51da
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Doc updates
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2020-09-18 12:35:07 -04:00 |
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0e81803c8b
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some embedded documentation tweaks
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2020-09-17 22:00:58 -04:00 |
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90abe12a3e
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update LAMMPS version reference
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2020-09-17 21:04:43 -04:00 |
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445e57923f
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add one-time deprecation warning to lammps_open() and lammps_open_no_mpi()
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2020-09-17 21:01:38 -04:00 |
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d88810f13a
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Add datatype introspection methods to library
Adds lammps_extract_atom_datatype and lammps_extract_global_datatype functions
to allow extracting type information of properties.
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2020-09-17 13:43:43 -04:00 |
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cf7d2109a3
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Merge branch 'library-progguide' into symbolic-atom-constants
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2020-09-15 19:50:18 -04:00 |
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88cee4ff09
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the library interface is for calling from C, so switch nullptr in comments/docs back to NULL
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2020-09-15 19:07:07 -04:00 |
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0f6a34775c
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 17:44:31 -04:00 |
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cebf6d33ba
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Merge pull request #2358 from eagunn/iss2345
Replace instances of NULL with nullptr
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2020-09-15 17:41:24 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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326d9f398c
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Merge branch 'master' into iss2345
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2020-09-15 14:06:16 -04:00 |
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5da50d64c9
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reformulate
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2020-09-15 12:32:43 -04:00 |
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3576464268
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Merge branch 'master' into consistent-memory-usage
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2020-09-15 12:25:16 -04:00 |
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bb76215ef0
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add library interface to retrieve memory usage info
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2020-09-15 01:59:58 -04:00 |
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