Commit Graph

232 Commits

Author SHA1 Message Date
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
9b443c9a4d add utility function to compare two string while ignoring whitespace 2025-01-17 14:06:30 -05:00
b9dbfc6eb2 add support to flag failed arguments for calls to expand_args() 2025-01-17 10:40:34 -05:00
fa54fd1097 add option to suppress printing the last command 2025-01-16 21:11:27 -05:00
da5a12fcd1 increase visibility of highlighting the failed argument 2025-01-16 11:39:53 -05:00
8c93986e47 add overloads for Error::all() and Error::one() that can point out the location of a faulty argument 2025-01-15 23:12:11 -05:00
c476e6704b revert workarounds for Intel ICC 19.x 2025-01-12 20:13:24 -05:00
4519489f8b fix unit test and another workaround for intel compilers 2025-01-12 19:42:03 -05:00
943504fd98 move timespec2seconds exception handling to calling function 2025-01-12 17:48:20 -05:00
b300ef29ee simplify; make certain nmax is always initialized 2024-08-22 23:39:29 -04:00
4c15ac99a3 expand_type_int verify->bool 2024-08-18 23:05:52 -06:00
1afa56e0da expand_type_int: optional flag to check types
verifying type could probably be default, except for historical reasons
would involve removing redundant checks after calling routine
2024-08-18 22:39:01 -06:00
5082d15844 use std::stoXX() functions and check for incomplete conversions and exceptions 2024-07-30 03:38:53 -04:00
246698d3c2 Timer::_timeout should be double and it should be allowed to have fractions. 2024-06-29 03:43:26 -04:00
da2dc9a154 handle case of no LAMMPS instance or no simulation box 2024-06-26 01:30:14 -04:00
5cbe85ecf1 remove redundant error argument (accessible through lmp) 2024-06-25 18:19:41 -04:00
fcba5ee3c9 silence compiler warnings and apply clang-format 2024-06-25 15:01:17 -04:00
44b99b6b76 bounds() wrapper for type labels 2024-05-12 14:30:55 -04:00
61b9469fd1 Revert "example with augmented utils::bounds"
This reverts commit 25d4b3484d.
2024-05-12 02:00:48 -04:00
25d4b3484d example with augmented utils::bounds
option to check for type label
2024-05-12 01:00:09 -04:00
267e75133a generalize passthrough args 2024-04-18 14:30:27 -04:00
b3e03d5188 refactor expand_types to return int 2024-04-17 18:56:28 -04:00
0ce25755cd second round of include-what-you-use updates 2024-02-28 15:37:13 -05:00
010a7a4d44 check for out-of-range or invalid numbers more thoroughly 2023-12-08 21:07:38 -05:00
5a455c5e3a remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg() 2023-09-26 23:56:51 -04:00
c332103938 make short read detection bugfix work in parallel 2023-06-26 15:20:29 -04:00
ffda6596da detect and flag short reads with missing lines in utils::read_lines_from_file() 2023-06-22 10:48:07 -04:00
34e8a74989 apply changes suggested by clang-tidy 2023-01-27 11:49:43 -05:00
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
3e9bb99daa Merge branch 'develop' into collected-small-changes to resolve merge conflicts 2022-12-19 12:42:09 -05:00
72b0a2dfdf Merge pull request #3405 from lammps/distributed-grids
Support for distributed grids
2022-12-19 12:06:25 -05:00
15dfb090c9 speed up utils::is_double() by putting most likely matching regexps first 2022-12-18 06:06:22 -05:00
9137edae10 fix incorrect detection of leading '-' on floating point numbers 2022-12-17 22:31:02 -05:00
5a18cea6c9 tighter checking of what is a valid integer/floating point number
also use the check consistently when converting numbers
2022-12-17 22:06:50 -05:00
7eb22f691b remove unused variables 2022-12-16 06:16:51 -05:00
87a0833edd whitespace fixes 2022-12-01 10:12:14 -05:00
4adf3708d4 add strip_style_suffix utility function 2022-11-24 11:50:21 -05:00
dd8a14789b update docs for new image features 2022-11-23 10:52:46 -07:00
9ab4c65f31 more work on dump image 2022-11-22 16:40:39 -07:00
3683f144a6 fixed compile issue 2022-11-17 16:32:15 -07:00
c9b431214c more work on dump image 2022-11-17 15:56:15 -07:00
b4118c51cc merged in current master 2022-11-04 08:22:18 -06:00
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
a0d859933c Update from master 2022-10-12 09:49:55 -06:00
038ad3a038 portability improvement 2022-09-30 09:02:14 -04:00
e2df4ed2a7 Merge branch 'develop' into distributed-grids
# Conflicts:
#	doc/src/Developer_utils.rst
#	doc/src/dump.rst
#	doc/src/fix_ave_chunk.rst
#	src/utils.h
2022-09-12 18:31:29 -04:00
22709b73e2 auto loop optimizations 2022-09-10 03:07:28 -04:00
b4410fa72a Merge branch 'develop' into type-labels 2022-09-09 16:31:38 -04:00
61e402de42 increase regexp matching pattern size 2022-09-08 23:25:01 -04:00