|
|
29651c4bb1
|
we're parsing an integer here
|
2025-06-24 23:29:19 -04:00 |
|
|
|
54eed8af02
|
.c_str() is not needed here
|
2025-06-24 23:28:53 -04:00 |
|
|
|
92ccbd13a5
|
correctly apply override
|
2025-06-24 23:28:32 -04:00 |
|
|
|
766a07c5d4
|
use explicit cast to double when promoting float lookup value from coulomb table
|
2025-06-24 23:24:32 -04:00 |
|
|
|
278cc0a039
|
replace implicit bool on floating point number with explicit comparison
also re-indent for consistency
|
2025-06-24 23:20:49 -04:00 |
|
|
|
33cc2117c6
|
use qualified auto
|
2025-06-24 23:19:57 -04:00 |
|
|
|
57ec008a66
|
use qualified auto
|
2025-06-24 22:52:29 -04:00 |
|
|
|
230121c2c7
|
make use of override consistent
|
2025-06-24 22:48:44 -04:00 |
|
|
|
f5d54a825f
|
use qualified auto
|
2025-06-24 22:48:31 -04:00 |
|
|
|
61bfc38961
|
use explicit scope since virtual tables are not active yet
|
2025-06-24 22:48:01 -04:00 |
|
|
|
0cd6c5c3ec
|
remove dead code
|
2025-06-24 22:36:51 -04:00 |
|
|
|
c242294227
|
use auto for redundant type specification
|
2025-06-24 22:36:39 -04:00 |
|
|
|
bf90e9b03e
|
must used override
|
2025-06-24 22:35:43 -04:00 |
|
|
|
af9a3d933b
|
make consistent for both branches
|
2025-06-24 22:15:04 -04:00 |
|
|
|
687e1ddb53
|
consolidate procs2grid2d implementation and initialization before call
|
2025-06-24 22:02:52 -04:00 |
|
|
|
8dad9a0f68
|
Merge pull request #4630 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2025-06-24 20:17:41 -04:00 |
|
|
|
938f7fa0ef
|
remove clang-tidy support from CMake since we now run this automatically
|
2025-06-24 07:49:57 -04:00 |
|
|
|
63c9987ec8
|
make scope explicit since virtual tables are not set up in constructor
|
2025-06-24 06:13:13 -04:00 |
|
|
|
d0c460e7f7
|
flag move constructor and swap function as noexcept for improved performance
|
2025-06-24 06:12:49 -04:00 |
|
|
|
e8780449d8
|
remove redundant part from logical expressions
|
2025-06-24 05:47:36 -04:00 |
|
|
|
df04fc943d
|
make implicit boolean conversions explicit
|
2025-06-24 05:47:05 -04:00 |
|
|
|
264750e47c
|
no need to run sphinx-build twice after updating sphinxfortran extension from upstream
|
2025-06-24 00:41:10 -04:00 |
|
|
|
b61410bde0
|
some additional explanations for neighbor boost single error
|
2025-06-24 00:16:00 -04:00 |
|
|
|
80fbdceff2
|
reformate for improved readability and make some updates due to changes in the code
|
2025-06-24 00:09:46 -04:00 |
|
|
|
24b15f7e46
|
add false positives
|
2025-06-24 00:09:18 -04:00 |
|
|
|
e45299f620
|
must load numpy into docenv to correctly process python numpy wrapper docs
|
2025-06-24 00:09:09 -04:00 |
|
|
|
179cce90bc
|
use C++11 style of disabling constructors
|
2025-06-23 23:20:26 -04:00 |
|
|
|
8c12ab5db0
|
update a few more rounding cases with std::lround()
|
2025-06-23 23:17:14 -04:00 |
|
|
|
f7f5a3e3e4
|
replace static_cast<int>(val + 0.5) with C++11's std::lround()
|
2025-06-23 23:07:13 -04:00 |
|
|
|
d5d8887eb9
|
improve error messages
|
2025-06-23 22:49:17 -04:00 |
|
|
|
56f839f2e1
|
replace custom nint() function with C++11's std::lround()
|
2025-06-23 22:49:06 -04:00 |
|
|
|
a7b7be26dc
|
improve errors
|
2025-06-23 22:42:48 -04:00 |
|
|
|
50ba0e577e
|
cast to double before printing
|
2025-06-23 22:37:27 -04:00 |
|
|
|
750e663be8
|
try to suppress false positive from static code analysis (natom is always > 0)
|
2025-06-23 19:21:00 -04:00 |
|
|
|
8305c97b69
|
address some issues flagged by static code analysis
|
2025-06-23 19:20:32 -04:00 |
|
|
|
8cf24edc21
|
improve error messages and suppress static code analysis warnings
|
2025-06-23 19:20:00 -04:00 |
|
|
|
249c6d6de9
|
add emacs local variable tweaks and add some missing docstrings
|
2025-06-23 16:51:33 -04:00 |
|
|
|
bfa19f678d
|
future-proof iarray() and darray() conversions and document them
|
2025-06-23 16:29:12 -04:00 |
|
|
|
8401b6aee8
|
use utils::inumeric() instead of utils::numeric() for integers
|
2025-06-23 06:57:51 -04:00 |
|
|
|
9d6758f269
|
merge two if statements with the same condition following each other
|
2025-06-23 06:43:59 -04:00 |
|
|
|
70d36b1b4c
|
when finalizing from the fortran module we should also free the external fix storage
|
2025-06-22 21:48:57 -04:00 |
|
|
|
4a9fa1ba87
|
restore compilation without -DNDEBUG
|
2025-06-22 18:40:58 -04:00 |
|
|
|
b3c403f464
|
run KOKKOS force style unit tests with serial when OpenMP is not available
|
2025-06-22 18:29:45 -04:00 |
|
|
|
12dcaa2d03
|
eliminate compiler warnings
|
2025-06-22 18:12:20 -04:00 |
|
|
|
1e6eeda958
|
remove dead code and address warnings from static code analysis
|
2025-06-22 17:49:47 -04:00 |
|
|
|
c6478e245a
|
fix up emitterutils source file in bundled yaml-cpp in ML-PACE for GCC 15+
|
2025-06-22 17:22:41 -04:00 |
|
|
|
cfe87f928d
|
update email address
|
2025-06-22 16:36:50 -04:00 |
|
|
|
469846e73c
|
correct broken doc line
|
2025-06-22 07:22:36 -04:00 |
|
|
|
9b382dac41
|
apply more pylint recommendations
|
2025-06-21 23:22:34 -04:00 |
|
|
|
679806206d
|
detect header keywords and section titles from data files and print suitable error
|
2025-06-21 17:59:54 -04:00 |
|
