118fa8e209
must reset "eval_in_progress[]" flags to avoid bogus circular dependency errors
2024-06-03 07:47:59 -04:00
371ec2036f
support trailing brackets for sort() and rsort()
2024-05-23 01:24:41 -04:00
5ffff255ea
simplify with STL classes
2024-05-22 23:46:13 -04:00
c1538c2f78
move varstyle array definition to Variable class so it can be used in a more general way
2024-05-22 23:42:56 -04:00
961cbfbe10
add custom atom property refs to variable syntax
2023-11-22 22:40:58 -07:00
1b7f9439ad
simplify parse_vector() method by using Tokenizer class
2023-05-04 21:14:25 -04:00
936b24e3b0
allow vector variable to be initialized
2023-05-03 16:36:05 -06:00
c9cfc952aa
polishing variable doc page and code
2023-05-03 14:06:21 -06:00
17f39d9d2c
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
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
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
78305edf71
delete atomfile style variables with clear command
2022-10-18 07:34:06 -04:00
6c32058728
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
2022-08-04 11:33:14 -04:00
5784fab588
starting to add timer-style variable
2022-05-05 17:04:50 -06:00
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
115962db88
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
9f9a5ca76f
Merge branch 'develop' into region-lookup-refactor
2022-04-22 22:53:02 -04:00
aa4787f604
complete region handling refactor
2022-04-16 00:17:39 -04:00
576f2266ae
Mark virtual destructors in derived as override
...
Following C++ Core Guideline C.128
2022-01-18 14:28:25 -05:00
91b0ae798a
make VALUELENGTH constant consistent.
2021-09-04 12:41:52 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
20e6174e59
cannot use tokenizer for parse_args() as the search for commata must be away of parenthesis
2021-03-29 21:11:07 -04:00
67f1f12c20
more tests for expressions
2021-03-23 21:42:45 -04:00
85d1257222
move redundant enumerator to Variable class definition in variable.h
2021-03-23 21:41:50 -04:00
4f46ee30a2
avoid crash when functions expecting an argument are used without
2021-03-23 18:13:01 -04:00
346c36e227
replace redundant functions to handle constants with (unordered) map
2021-03-23 17:48:47 -04:00
014f9ad527
simplify Variable::parse_args() by using Tokenizer class
2021-03-23 16:47:04 -04:00
9dfb715296
add support for variable names to id introspection in library interface
2020-10-04 06:01:26 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
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
9925122cea
more IWYU updates
2020-09-03 00:22:09 -04:00
cac4c5d930
fix merge artifact
2020-07-20 20:40:02 -04:00
5b4275002c
Merge branch 'master' into kim_fix
2020-07-20 20:27:41 -04:00
b3bd36947d
add convenience function to allow variable->set() command with a single string argument
2020-07-17 13:57:54 -04:00
2fb6a61f2a
refactor code to make better use of std::string and simplify using changes to Variable class API
2020-07-17 01:23:17 -04:00
63bebf58fd
add convenience function to allow variable->set() command with a single string argument
2020-07-17 00:46:31 -04:00
dd7bc1d34e
use const char * instead of char * so we don't need a cast for string constants
2020-07-17 00:45:58 -04:00
0af7fbe98e
use const char * instead of char * so we don't need a cast for string constants
2020-07-17 00:34:23 -04:00
dd11fb3964
remove .c_str() and simplify output in several places
2020-06-03 16:37:30 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
ff36bad099
cleanup includes in variable.h
2019-06-27 00:33:48 -04:00
02e7dd5716
also allow %e in format variables of suffix
2019-05-30 14:52:26 -04:00
1a5c3c6dcb
add check that allows only %f and %g conversions in variable format strings
2019-05-30 14:46:07 -04:00
6f8c544a7d
add option to print_var_error() function to delegate errors to error->one() instead of error->all()
...
this change is applied to cases that may happen on individual ranks only, e.g. out-of-range access, division by zero, invalid argument.
2019-01-10 16:50:00 -05:00
b19ee27f86
initialize two more struct Tree members to appease coverity scan
2018-12-28 01:01:33 -05:00
09abc0c75a
Fix memory leak in Variable::compute_atom
2018-11-29 00:41:40 -05:00
3e79296dcf
Variable style 'string' substitutes variables in definition
2018-06-14 13:10:08 +02:00
