Commit Graph

350 Commits

Author SHA1 Message Date
564a8e88c1 use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis 2023-07-11 10:31:16 -04:00
6d6f57aeff cosmetic 2023-06-20 16:17:11 -04:00
9cc6839a8b Merge branch 'develop' into collected-small-fixes 2023-06-06 08:36:25 -04:00
6138b2b1f7 fix grammar 2023-05-31 13:31:45 -04:00
69c5493631 silence compiler warning 2023-05-31 09:09:35 -04:00
70709f2f08 simplify error messages 2023-05-31 08:25:45 -04:00
9ec55dcb1f silence compiler warning 2023-05-30 19:10:11 -04:00
5fac8f483e last typo 2023-05-19 23:51:01 -04:00
d7b7d1d323 make sure error messages not wrong 2023-05-19 23:48:41 -04:00
aaabe41b22 typo 2023-05-19 22:54:23 -04:00
ad7b27a67a correct logic 2023-05-19 22:27:28 -04:00
b9f01f106e is_typelabel function 2023-05-19 21:20:34 -04:00
d6d825258e Merge pull request #3771 from lammps/variable-current
Change how variables check if computes are current
2023-05-12 19:26:36 -04:00
49ac79fcdd change error checks for computes that are not current 2023-05-08 08:55:40 -06:00
0facd4cf66 support vector variable definitions with embedded blanks 2023-05-05 01:06:55 -04:00
1b7f9439ad simplify parse_vector() method by using Tokenizer class 2023-05-04 21:14:25 -04:00
67b6a1de70 fixup broken unit tests 2023-05-04 20:09:57 -04:00
0c10184a69 whitespace, simplify 2023-05-04 20:09:45 -04:00
93100adbe0 debugging and doc pages 2023-05-04 16:24:15 -06:00
ccc1b200c0 add output option for vector-style vars 2023-05-04 12:52:11 -06:00
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
e0f5215414 give atom style variables access to "radius" property. add check for charge. 2023-04-03 19:08:10 -04:00
17f39d9d2c rename fix STORE/PERATOM to STORE/ATOM 2023-03-13 22:33:47 -04:00
3815c0ef76 modify fix STORE/PERATOM and callers to allow ghost comm 2023-03-13 17:00:54 -06:00
d13634cd6b move definition of MAXBIGINT_DOUBLE to variable.cpp 2023-02-14 15:37:59 -05:00
fbe30ffec6 use MAXBIGINT_DOUBLE which does not overflow when casting back to bigint 2023-02-13 10:56:02 -05:00
83831ca222 Update variable.cpp
I remembered that I forgot to remove these commented printf() calls.
2023-02-06 10:23:22 -07:00
6707ab6182 avoid illegal memory access in destructor after variables have been deleted 2023-02-03 20:23:41 -05:00
5d941da4e9 check if variable value is a valid number before converting it 2023-01-26 07:10:20 -05:00
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
334643b300 avoid sprintf() 2023-01-07 16:13:27 -05:00
d572d8f051 avoid sprintf() through C++ features and libfmt 2023-01-07 15:47:46 -05:00
4a92316cf2 improve error message 2022-12-07 15:02:59 -05:00
b6b81a951a improve error reporting for python style variables 2022-11-10 17:17:23 -05:00
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
cbe83701c1 better checking for valid data for format style variables 2022-09-30 15:06:25 -04:00
172106717d must match the entire string 2022-09-30 15:05:41 -04:00
ec0bc5aa5e improve detection of invalid format strings. allow to replace format style variables 2022-09-30 09:57:42 -04:00
97717d7cba update parser for label2type() function with better argument checking and handling of ',' in labels 2022-09-07 15:36:46 -04:00
55f97e5fbc whitespace 2022-09-06 19:15:18 -04:00
1d986280ce rename variable special function to retrieve types for labels to label2type() 2022-09-06 18:56:00 -04:00
9b41d28947 Merge branch 'develop' into type-labels
# Conflicts:
#	doc/src/dihedral_coeff.rst
2022-09-01 21:09:04 -04:00
69b32aef13 Merge remote-tracking branch 'github/develop' into collected-small-changes 2022-08-27 10:12:58 -04:00
b31b20f336 print error if extract_setting() uses unknown setting string. 2022-08-27 07:02:19 -04:00
60b00bfa8f update unit tests for variable command 2022-08-25 05:48:07 -04:00
59837dd44b improve error messages in run and variable.cpp 2022-08-25 11:09:21 +08:00