df04fc943d
make implicit boolean conversions explicit
2025-06-24 05:47:05 -04:00
3a628ce4b1
simplify by returning new variable index in creator function and avoid calling finder
2025-06-13 04:37:09 -04:00
84f20fe516
must initialize pyindex[ivar] in equalstyle check
2025-06-06 05:59:03 -04:00
e1aa3cf7ec
move throwing Python variable errors to PythonImpl class and change API accordingly.
2025-06-06 00:19:33 -04:00
a246619ecf
whitespace
2025-05-28 21:54:17 -04:00
2351418c94
made collapse_tree() method work correctly in Variable class for Python function wrappers, also added support for vector-style variables to use Python function wrappers
2025-05-19 21:42:08 -06:00
ebfb94a717
fix whitespace
2025-05-15 17:04:18 -06:00
06616c5ff3
change how internal vars are defined by various commands, enable Python class to return a numeric value directly (for speed)
2025-05-15 16:37:41 -06:00
1f85dd4093
update comment in variable.cpp
2025-05-06 16:28:10 -06:00
1fc13c491c
change PYFUNCTION to PYWRAPPER in code
2025-05-01 13:16:50 -06:00
a2a2c541b5
tweaks to code and doc page
2025-05-01 12:57:27 -06:00
19d25a3654
initial implementation of python functions in variable formulas, including for atom-style vars
2025-05-01 07:59:41 -06:00
8949a6262d
Use "Contact the LAMMPS developers" consistently and add an errorurl() to such errors
2025-03-27 19:04:32 -04:00
e4c96459e5
flag some more compatible time and out-of-bounds errors with errorurl()s
2025-03-20 06:16:59 -04:00
b936673935
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
0f10741f71
update tests for variable commands
2025-03-13 04:38:58 -04:00
33ac6c8836
address several issues related to variables and improve error messages
2025-03-12 22:33:07 -04:00
6d6fce7866
provide explanation for "variable evaluated before simulation box is defined"
2025-03-12 20:36:01 -04:00
800a5f6310
Merge pull request #4409 from willzunker/mdr-rebase2
...
pair_style granular - MDR contact model
2025-01-28 16:33:27 -05:00
77e6a6dcef
Suppress compiler warning since return value can be safely ignored
2025-01-27 10:58:15 -07:00
72784262b1
Merge branch 'develop' into mdr-rebase2
2025-01-17 12:17:20 -07:00
fa54fd1097
add option to suppress printing the last command
2025-01-16 21:11:27 -05:00
4f6c3d12f7
avoid variable definition error: expected 3 arguments but found N
2025-01-10 20:10:53 -05:00
53c3fa2afd
memcpymask is a constant and thus should be uppercase
2024-12-27 01:54:44 -05:00
5ece81323e
suppress bogus compiler warnings about overflowing buffer size in memcpy()
2024-12-26 22:53:44 -05:00
64c06e9673
revert verlet.cpp change
2024-12-15 11:53:48 -08:00
e48f288e2b
result of "make fix-whitespace"
2024-12-14 13:20:16 -08:00
00ebe9a3e8
Squashed version of Will's commits.
2024-12-09 08:31:57 -08:00
4296db4991
add link with more explanation to the illegal variable errors
2024-11-20 11:15:12 -05:00
804aa4ee85
improve error message
2024-09-16 20:38:50 -04:00
0f792b0434
cast return value to void to indicate that we want to ignore the result
2024-08-13 12:36:43 -04:00
7e3d613c80
set to zero on underflow to avoid std::stod() throwing an out-of-range exception
2024-07-30 22:24:59 -04:00
a75862088a
replace atof() with std::stod()
2024-07-30 03:43:26 -04:00
f0e9d0c96d
update comment
2024-07-30 03:39:03 -04:00
361b8c25c4
use c++11 function to convert strings to numbers
2024-07-30 00:34:12 -04:00
58513320d3
core files: replace sprintf with snprintf
2024-07-13 15:33:56 -06:00
6ad0145709
new special variable function is_timeout()
2024-06-29 04:02:33 -04:00
118fa8e209
must reset "eval_in_progress[]" flags to avoid bogus circular dependency errors
2024-06-03 07:47:59 -04:00
3bc367e0b0
implement suggestions made by @rbberger
2024-05-25 05:00:08 -04:00
371ec2036f
support trailing brackets for sort() and rsort()
2024-05-23 01:24:41 -04:00
272ce64272
add special function for sorting vectors
2024-05-22 23:46:36 -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
1346be4168
Merge pull request #4126 from lammps/global-vector-access
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Relax error check on accessing fixes that produce variable size vectors/arrays
2024-04-13 16:58:50 -04:00
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
af88cec22d
relax error check on fixes that produce variable size vectors/arrays
2024-04-05 15:12:46 -06:00
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
