9f88867b37
update parsing of file and atomfile variable files
...
this allows to handle comments and empty lines everywhere for atomfile
and file variables and in a consistent manner since it used utils functions.
also error messages are improved and more specific.
2024-04-10 03:08:08 -04:00
2c26586b1a
clean up
2024-04-04 13:50:43 -06:00
6a2bcc7258
merge in current develop
2024-04-04 13:30:14 -06:00
30f330718a
more consistent error checks on variable length global vecs and arrays
2024-03-29 16:53:18 -06:00
7137290682
Follow requested changes to patch
2024-03-29 21:52:57 +01:00
1b7bc36505
Fix variables compatibility with chunk arrays
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When using variables with chunk computes that produce arrays (such as `compute chunk/atom`) the compute will not have set `size_array_rows` to the appropriate value before it has ever been called and will therefore incorrectly have thrown the error "Variable formula compute array is zero length".
2024-03-10 12:56:33 +01:00
46cacf089e
whitespace
2024-02-19 21:41:29 -05:00
7a5fa7ca54
not a bug but change variable evaluate local ivar to jvar to avoid code confusion
2024-02-19 17:34:43 -07:00
d70a98561f
fix bug in removing a variable
2024-02-19 17:33:51 -07:00
6442e05988
even more define to static constexpr conversions
2024-01-25 02:17:28 -05:00
a6261d75b9
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
9e1f85518c
avoid segfault with immediate variables
2023-11-27 05:31:12 -05:00
e3ba19c145
Merge branch 'develop' into variable-custom-atom-properties
2023-11-25 06:42:38 -05:00
dc32efe9be
whitespace
2023-11-23 16:19:43 -05:00
961cbfbe10
add custom atom property refs to variable syntax
2023-11-22 22:40:58 -07:00
0db826ae77
whitespace
2023-11-22 19:39:29 -05:00
eb6c101d94
add ternary math function
2023-11-22 09:49:11 -07:00
ea8234a875
treat immediate variables like equal style also for evaluating references to computes and fixes
2023-11-16 22:08:00 -05:00
3390a11312
improve error detection and messages
2023-11-12 10:04:04 -05:00
7d9c068da0
whitespace
2023-08-22 11:50:54 -04:00
aad232ffc6
fix typo
2023-08-22 11:46:57 -04:00
6e1529ddff
finish changes to variables
2023-08-18 13:18:50 -06:00
91d826a5d6
changed compute section of variable formulas
2023-08-18 09:34:46 -06:00
95e9e6549f
simply variable.cpp
2023-08-18 09:28:58 -06:00
2da908190b
make error messages consistent and improve their grammar
2023-07-21 11:24:57 -04:00
c7996b506a
make use of Compute::is_initialized() and Compute::init_flags()
2023-07-20 20:31:48 -04:00
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
