e039927a31
convert fix ave/histo to have improved error messages
2025-01-23 22:29:56 -05:00
e4dbfee498
replace fmt::print() with utils::print()
2025-01-23 00:11:31 -05:00
292ae27f98
use ioffset variable to indicate the first argument that is not fixed
...
also, convert all error messages to use the new style.
2025-01-20 14:57:11 -05:00
d99c960eb9
resolve unit test failures due to enhanced error handling
2025-01-18 21:40:48 -05:00
e350f28e26
refactor how error output is created and only print input and parsed line if they differ in text
2025-01-17 18:06:31 -05:00
b9dbfc6eb2
add support to flag failed arguments for calls to expand_args()
2025-01-17 10:40:34 -05:00
0f792b0434
cast return value to void to indicate that we want to ignore the result
2024-08-13 12:36:43 -04:00
66d042a0ee
make checks for exceeding length of variable-length vectors more consistent
2024-04-04 14:11:13 -06:00
30f330718a
more consistent error checks on variable length global vecs and arrays
2024-03-29 16:53:18 -06:00
866c059d2d
improve error messages
2024-03-17 01:17:11 -04:00
fce15bf66f
add support for appending to files to fix ave/time
2024-03-17 01:17:01 -04:00
6339dfad09
replace references to fix ave/spatial with correct equivalents
2024-01-21 12:24:38 -05:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
a3c0be875e
include-what-you-use updates
2022-12-11 22:46:54 -05:00
d96bfcdf06
Merge branch 'develop' into refactor-testing
2022-10-24 20:07:58 -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
8ebad9ecd8
convert fix ave/atom and fix ave/chunk
2022-10-15 09:34:47 -04:00
21aded5e4e
silence compiler warning
2022-10-03 15:14:54 -04:00
d7ff6337ed
refactor fix ave/time to use array of struct
2022-10-02 14:48:53 -04:00
7bba3c516f
avoid excess string copy in auto loops
2022-09-01 16:02:32 -04:00
bf8f5e2f87
more compact output
2022-04-28 18:08:59 -04:00
2ae9ca5073
swap rows and columns back for easier import into pandas
2022-04-28 16:03:04 -04:00
04b46a9ce8
implement yaml output for mode vector
2022-04-28 14:33:15 -04:00
2f71c96bde
add yaml format output for mode scalar
2022-04-28 07:46:47 -04:00
a649fa3a79
detect yaml file output by file name
2022-04-26 06:20:00 -04:00
c4729b39b4
replace more uses of XXXINT_FORMAT with fmtlib
2022-03-30 13:53:25 -04:00
146c6fe5ff
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
facb49fc27
disallow reset_timestep for time averaging fixes
2021-12-09 15:09:42 -05:00
4f0f791417
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
7cdd82dee2
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
2f7d6672df
more files with ArgInfo support added
2021-02-03 16:39:01 -05:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
4a40a70870
avoid overflow of timestep related computations
2020-10-01 09:48:54 -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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
741a1d1fc9
move Input::expand_args() to utils::expand_args()
2020-08-29 18:32:10 -04:00
2777d37a61
remove local buffers and snprintf() for file open error messages.
2020-06-04 13:30:44 -04:00
118c2e5be3
missed one unchecked call to ftruncate()
2019-10-19 16:36:13 -04:00
bf537dedf5
check status of ftruncate() in ave/* fixes
2019-10-19 10:49:05 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
