bd0574c11d
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2024-08-08 13:43:25 -04:00
dbf9c75509
some more atom info in "info system"
2024-08-08 11:22:02 -04:00
85f322e4f2
add introspection support for -DLAMMPS_CURL
2024-08-07 10:27:19 -04:00
b7bb8083ed
implement -restart2info command line flag and document it
2024-08-06 17:14:46 -04:00
7561e05218
output timestep info as part of the system info
2024-08-05 19:39:57 -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
11b2538cdb
print fft info also with -help flag, using single function to create string
2024-02-05 17:32:45 -05:00
3c184aac84
add fft support to info command
2024-02-05 16:45:01 -05:00
92220140ab
indicate if Intel package SIMD directives are enabled
2023-11-27 22:20:50 -05:00
35103df86b
make compatible with Kokkos 3.7
2023-11-23 14:25:30 -05:00
742a772767
report Kokkos library version and OpenMP standard version
2023-11-23 00:24:34 -05:00
e6524b59fa
only check significant chunk of the words
2023-11-12 04:43:17 -05:00
d864b4789f
refactor variable info in Info class, make info accessible from library interface
2023-08-25 23:55:42 -04:00
0cd5ae5f2e
remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
2023-04-15 17:49:08 -04:00
11d0449fec
make compatible to non-glibc Linux
2023-01-22 18:25:32 -05:00
01a54723d7
more iwyu updates
2022-12-11 23:40:31 -05:00
e0792d3a62
apply code changes suggested by clang-tidy
2022-12-11 18:44:50 -05:00
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
b6ce6755d9
add Atom::get_style() method
2022-08-27 16:13:00 -04:00
0e2b51010c
simplify
2022-08-11 09:51:37 -04:00
429cd204c4
bugfix in dipole neigh list memory usage
2022-06-01 16:26:25 -06:00
d4ea5ca49e
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
5784fab588
starting to add timer-style variable
2022-05-05 17:04:50 -06:00
aa4787f604
complete region handling refactor
2022-04-16 00:17:39 -04:00
d6f7570d57
avoid redundant use of boolean literals
2022-04-10 20:47:31 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
3bc91386a0
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
d391ae845b
convert static class members with git info to functions to simplify auto-export on Windows
2022-01-27 17:20:05 -05:00
3dcfc0dfc6
skip redundant KOKKOS host/device styles info/help lists
2021-12-22 20:13:30 -05:00
c8512249b7
Merge branch 'develop' into modify-fix-compute-accessors
...
# Conflicts:
# src/PLUGIN/plugin.cpp
2021-10-27 21:14:05 -04:00
1247f4d67b
add function to print information about available compressions tools
2021-10-26 20:00:55 -04:00
8bf016eaef
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
d0416757b7
simplify using new APIs
2021-10-24 18:00:15 -04:00
2e362b1f3f
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
47523da16b
allow single precision FFT introspection
2021-10-15 20:03:39 -04:00
ef04f6ca69
Merge pull request #2993 from akohlmey/collected_small_changes
...
Collected small changes and fixes
2021-10-14 15:32:42 -04:00
e56cc9be00
use initializer list instead of explicit constructor
2021-10-14 01:12:44 -04:00
afad3f42d5
Report only compatible GPU, i.e. no GPU if mixed/double precision is requested by the hardware does not support it
2021-10-13 21:15:16 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
cc2d23de21
use platform::cputtime()
2021-10-05 22:31:06 -04:00
37bfe3d0ce
integrate platform sub-namespace into source code and documentation
...
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
2021-10-02 16:55:11 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
b1092cfa4e
detect C++20 standard
2021-09-14 11:56:43 -04:00
c8170c3388
fix mingw 32-bit vs 64-bit craziness
2021-09-13 10:14:34 -04:00
ede3762e84
detect a few more compilers
2021-09-13 00:29:04 -04:00
e070766915
including lmpwindows.h globally from lmptype.h does more harm than good
...
this addresses some (cross) compilation issues locally.
in the long run, this should be addressed by implementing issue #1884
where platform specific functionality is wrapped into a small library
of generic functions adapted for LAMMPS' needs (like utils:: does for
non-portable convenience functions).
2021-09-07 10:39:16 -04:00
a1e0341d8c
detect and update output for OpenMP version 5.1
2021-08-24 23:01:43 -04:00
e29bd3d157
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
