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2c0ff19528
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allow calling lammps_last_error_message() with a NULL buffer to clear the error
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2023-09-06 00:27:46 -04:00 |
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4ca5d7eec5
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fix logic error
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2023-08-30 03:58:56 -04:00 |
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ceadb04cf3
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store the actual file name *after* it is written
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2023-08-29 23:31:24 -04:00 |
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c71c4d0fcd
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must have a verbatim block to include .. versionadded::
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2023-08-28 21:19:04 -04:00 |
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d864b4789f
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refactor variable info in Info class, make info accessible from library interface
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2023-08-25 23:55:42 -04:00 |
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401133acec
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count lines during scanning for triple quotes
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2023-08-25 21:17:41 -04:00 |
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0461fe8a13
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delete carriage returns instead of turning them into blanks, add final newline
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2023-08-25 18:55:14 -04:00 |
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74d76f988d
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update docs
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2023-08-25 17:48:28 -04:00 |
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8f41ac1272
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support loops in lammps_commands_string()
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2023-08-25 17:34:32 -04:00 |
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c7a0e5f0e1
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use line splitting method that keeps empty lines and set line numbers
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2023-08-24 21:23:35 -04:00 |
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48de679a58
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add support for accessing line number from cached thermo data
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2023-08-24 21:22:51 -04:00 |
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c1b5fe4e84
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reimplement lammps_commands_string() library function with C++ and support for heredocs
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2023-08-19 17:48:03 -04:00 |
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8bfa0b2b04
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add option to query Update::setupflag to see if thermo data is valid
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2023-08-15 01:03:25 -04:00 |
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e3fa10ee88
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add deprecation note to lammps_config_has_exceptions() function
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2023-08-03 17:35:05 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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ea5a20afc5
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add missing versionchanged tags
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2023-08-01 18:39:20 -04:00 |
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f7881f4de5
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add global error message buffer for exceptions creating a LAMMPS instance
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2023-07-25 13:08:26 -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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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -04:00 |
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4d02c6f26f
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update version strings for upcoming release
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2023-06-14 21:50:27 -04:00 |
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bc87c69d60
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Merge branch 'python_and_library_fixes' of github.com:rbberger/lammps into python_and_library_fixes
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2023-06-11 17:48:26 -06:00 |
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68a73f1c33
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library: return atom and force styles via extract_global
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2023-06-11 17:46:58 -06:00 |
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62b388b48f
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consolidate LAMMPS data type constants and enums and use the same names
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2023-06-10 19:23:11 -04:00 |
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ecf7c24e87
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Avoid static int in lammps_last_thermo
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2023-06-09 17:40:06 -06:00 |
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81854cd03e
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change type keyword to return a pointer to static location for better portability
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2023-06-08 14:55:45 -04:00 |
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b093f1aac1
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move versionadded tags to the top, replace some missed TBD with version info
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2023-06-08 13:11:19 -04:00 |
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3f6032e80d
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add python module interface to lammps_last_thermo, small consistency fixes
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2023-06-08 13:05:37 -04:00 |
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a2c968386e
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include versionadded tag
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2023-06-08 12:46:00 -04:00 |
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2272d8dd20
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add new library interface function to documentation
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2023-06-08 09:45:12 -04:00 |
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dd0bba6ac7
|
whitespace
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2023-06-07 20:37:53 -04:00 |
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491e152289
|
add API to library interface to access last thermo data
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2023-06-07 16:21:01 -04:00 |
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7c98d4dba3
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avoid null pointer dereferences by allocating a buffer for at least 1 item
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2023-05-17 10:26:33 -04:00 |
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8086228976
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make communicator protected and use accessor instead. simplify
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2023-04-15 21:54:13 -04:00 |
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0cd5ae5f2e
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remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
|
2023-04-15 17:49:08 -04:00 |
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fa9062a87e
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make Force::special_lj and Force::special_coul accessible through the library interface
|
2023-03-15 18:39:32 -04:00 |
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4ed49d2f21
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make Input::file(const char *) function safe for passing a null pointer
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2023-03-07 13:44:34 -05:00 |
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9220ea5695
|
fix a bunch more broken links
|
2023-02-19 20:48:54 -05:00 |
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9520be6aae
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update versions strings for the next feature release
|
2023-02-03 11:39:50 -05:00 |
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370c701f89
|
whitespace
|
2023-01-29 13:42:36 -05:00 |
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d2539f45ae
|
add doxygen style comments to document the new C library functions added
|
2023-01-26 11:40:58 +02:00 |
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954dbacf82
|
Update library.cpp
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2023-01-25 19:48:23 +02:00 |
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c0345845e8
|
unit test for gather and scatter; char* to const char* in library.*
|
2022-12-03 20:38:42 -06:00 |
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71f086e159
|
implemented scatter, gather, and friends; wrote and updated documentation
|
2022-12-02 17:19:42 -06:00 |
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15bf4a281d
|
documentation corrections
|
2022-11-17 11:48:13 -05:00 |
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096a70363b
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allow to check if Kokkos is active and retrieve number of threads and gpus
|
2022-11-17 11:31:34 -05:00 |
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2d3e5e9930
|
set pending version info in docs to 3Nov2022
|
2022-11-01 06:00:05 -04:00 |
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e68efc039f
|
Resolved merging conflicts in three files
|
2022-10-25 14:37:33 -05:00 |
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248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -04:00 |
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2132b1d904
|
update developer reference text
|
2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
|
change email for contacting LAMMPS developers, add to homepage checker
|
2022-10-20 20:36:03 -04:00 |
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