d88810f13a
Add datatype introspection methods to library
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Adds lammps_extract_atom_datatype and lammps_extract_global_datatype functions
to allow extracting type information of properties.
2020-09-17 13:43:43 -04:00
cf7d2109a3
Merge branch 'library-progguide' into symbolic-atom-constants
2020-09-15 19:50:18 -04:00
88cee4ff09
the library interface is for calling from C, so switch nullptr in comments/docs back to NULL
2020-09-15 19:07:07 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
326d9f398c
Merge branch 'master' into iss2345
2020-09-15 14:06:16 -04:00
5da50d64c9
reformulate
2020-09-15 12:32:43 -04:00
3576464268
Merge branch 'master' into consistent-memory-usage
2020-09-15 12:25:16 -04:00
bb76215ef0
add library interface to retrieve memory usage info
2020-09-15 01:59:58 -04:00
39681acfa4
add cross reference
2020-09-14 21:03:39 -04:00
a1b2f82107
test for exceptions add example
2020-09-14 17:01:28 -04:00
f5e9804557
cosmetic
2020-09-14 14:24:34 -04:00
ac040dc85f
update prototype to allow constant strings
2020-09-14 12:17:49 -04:00
155e7de859
fix bug in lammps_has_style()
2020-09-14 12:16:53 -04:00
cc86214fe2
take back too eager change
2020-09-13 17:20:29 -04:00
96a5585d65
use more const char pointers
2020-09-13 17:12:11 -04:00
5a0623595b
make char * argument of lammps_get_thermo() const
2020-09-13 16:46:13 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
bd72ef7996
add API to library/python interface to extract the MPI communicator
2020-09-09 22:03:11 -04:00
e238201be5
add a couple more versionadded directives
2020-09-09 13:21:19 -04:00
2b854ec64f
reformulate
2020-09-09 09:25:34 -04:00
a1cf6c087c
no need to use a deprecated argument in a newly added API
2020-09-09 09:06:28 -04:00
2a42fe66ad
discuss change to get LAMMPS handle as return value instead of argument
2020-09-09 09:06:00 -04:00
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
2802db4493
correct application of the BEGIN_CAPTURE macro
2020-09-01 09:41:26 -04:00
0541996919
Merge branch 'master' into master
2020-09-01 10:59:03 +02:00
7b6924329f
make doxygen docs and code consistent
2020-08-28 20:25:38 -04:00
a216d3f5f5
Fix typo
2020-08-27 17:47:49 -04:00
096cef40a8
remove redundant use of \brief
2020-08-26 19:44:23 -04:00
2f1086dfe4
Merge branch 'python-refactor' into library-refactor
2020-08-26 19:07:44 -04:00
1ad82d7cdb
add separator comment lines
2020-08-26 19:07:08 -04:00
ed63edc9da
lammps_has_error() and lammps_get_last_error_message() are always available but dummies without exceptions enabled
2020-08-26 09:10:59 -04:00
f965786e74
refactor C library interface and add doxygen decorations
2020-08-25 11:45:07 -04:00
9bdb7b5b98
gatherscatter
2020-08-24 17:09:16 +02:00
e8fb7c7ece
big update
2020-08-24 16:54:16 +02:00
079cc123e5
Remove unused function
2020-08-10 12:27:08 -04:00
8108063f47
small bug fix for gather()
2020-07-15 12:21:03 +02:00
6c5d928358
small bug fix for gather()
2020-07-15 11:45:23 +02:00
de815ed6ba
must not pass NULL pointer now that we use const std::string references
2020-07-04 04:48:16 -04:00
2f5587da53
use std::string.empty() instead of comparing to ""
2020-06-14 17:25:20 -04:00
9ca0d01a5b
silence compiler warnings
2020-06-11 19:05:06 -04:00
04d7eacc2f
remove .c_str() in several places because it is no longer neede
2020-06-05 16:40:48 -04:00
62ee8d41f3
get rid of local buffers and snprinf()
2020-06-04 16:41:24 -04:00
9f3f53cc6b
convert Error class to accept 'const std::string &' instead of 'const char *'
2020-06-03 15:43:05 -04:00
b96058eac3
gather/scatter custom
2020-05-01 16:53:07 +02:00
6cd1b45a49
recover compilation with -DLAMMPS_BIGBIG
2020-04-29 17:12:58 -04:00
1cd5db683f
typo..
2020-04-20 19:59:26 +02:00
0f8669c51d
updated_extract_atom
2020-04-20 19:55:29 +02:00
