85f683c1a0
Fix typo
2021-04-29 14:00:23 -04:00
53165fc7c9
Add PACELIB to offline scripts
2021-04-29 13:37:26 -04:00
8b410cf2bd
Add scripts to simplify offline builds of docs and CMake
2021-04-29 13:26:55 -04:00
00578e1b26
Merge pull request #2741 from stanmoore1/kk_mycutneighsq
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Add missing code in Kokkos neighborlist to use custom cutoff
2021-04-28 19:21:07 -04:00
9a7e32a924
Add missing code in Kokkos neighborlist to use custom cutoff
2021-04-28 13:54:23 -06:00
ceb173135b
Merge pull request #2737 from ab5424/patch
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Update USER-INTEL.cmake
2021-04-27 22:32:30 -04:00
d3b19f22fc
Merge pull request #2738 from akohlmey/read_data_trunc_lines
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Make read_data compatible with files that have lines longer than 256 chars
2021-04-27 21:11:09 -04:00
5d837a0641
update unit tests
2021-04-27 18:46:30 -04:00
d315105dfa
document line length limit in atomfile variable names
2021-04-27 18:43:23 -04:00
632e963092
add comment to line length truncation limit in data files
2021-04-27 18:39:43 -04:00
7b1b57aa9b
rename utils::fgets_trunc_nl() to utils::fgets_trunc()
2021-04-27 18:32:51 -04:00
1aec90473c
Merge pull request #2739 from stanmoore1/kk_mvapich
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Fix typo in MVAPICH flag for Kokkos CUDA-Aware MPI
2021-04-27 18:29:58 -04:00
cc4f25e77c
Fix typo in MVAPICH flag for Kokkos CUDA-Aware MPI
2021-04-27 13:44:27 -07:00
f29744b5bc
add documentation for fgets_trunc_nl()
2021-04-27 16:21:17 -04:00
15cff295c0
change read_data to use new utility function
2021-04-27 16:14:08 -04:00
e2318e1710
add tests for new function
2021-04-27 16:13:57 -04:00
b65bc86718
new utility function fgets_trunc_nl()
2021-04-27 16:13:45 -04:00
cce54b6ba5
disable check failing due to inconsistent behavior on different platforms
2021-04-27 16:13:23 -04:00
5655523468
correct expected error message
2021-04-27 16:13:15 -04:00
6375b91bd7
Update USER-INTEL.cmake
2021-04-27 17:13:03 +02:00
3455172f7d
Merge pull request #2725 from akohlmey/more-unit-tests
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Add more unit tests
2021-04-26 23:30:44 -04:00
57a7bd7186
adjust for changed CMake variable scope due to moving script code
2021-04-26 20:16:55 -04:00
18215ff3e7
Merge remote-tracking branch 'origin/master' into more-unit-tests
2021-04-26 14:48:14 -04:00
462f27d661
Use copy-and-swap in Tokenizers
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Ensures that the classes behave consistently when copied, moved, copy assigned,
and move assigned.
2021-04-26 14:28:13 -04:00
39f3c1684f
Merge pull request #2729 from akohlmey/update-contributing-guide
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Update the GitHub contributing guide to include the MatSci forum
2021-04-26 14:23:30 -04:00
31d244dd80
Merge pull request #2727 from akohlmey/refactor-read-lines-from-file
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Move "read_lines_from_file" utility function from Comm class to utils namespace
2021-04-26 13:24:24 -04:00
4a2816b61c
Merge pull request #2726 from akohlmey/iwyu-update
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Update lists of included header files
2021-04-26 12:28:49 -04:00
0eee2d013d
add info to docs
2021-04-26 12:27:34 -04:00
2c6fe2d0b5
add tests for the overloaded constructor using a file pointer
2021-04-26 12:12:45 -04:00
dbd7d454b9
for consistent behavior we must not close the file pointer when it was passed as argument
2021-04-26 12:12:19 -04:00
8af1530e29
throw EOF exception in TextFileReader::next_values() if next_line() doesn't do it
2021-04-26 11:27:17 -04:00
ac60cfb0c3
add custom constructor for TextFileReader that uses an already opened file descriptor
2021-04-26 11:26:50 -04:00
4fa5840f13
fix bug due to adding ArgInfo
2021-04-26 11:02:41 -04:00
792966a957
always describe the git version, even when using a git clone without history
2021-04-26 11:02:15 -04:00
e779de7e1e
Merge branch 'master' into more-unit-tests
2021-04-25 22:48:44 -04:00
beca3e5f0d
collect the full help message
2021-04-25 22:27:36 -04:00
b4fa718576
update the GitHub contributing guide to include the MatSci forum in addition to the mailing list.
2021-04-25 07:25:05 -04:00
ba4781bd82
restore old string matching as it works just as well (on my machine)
2021-04-25 01:14:57 -04:00
b7088a14ae
use alternate way to compare strings
2021-04-25 00:45:10 -04:00
ba5f531619
add some basic tests for the "processors" command
2021-04-25 00:44:51 -04:00
43325dca82
update/add tests about starting up LAMMPS
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- move the test checking the help message from the c++ library
to running the executable and checking the output
- add a command line test for errors on invalid command line flags
- add a c++ library test checking if ntreads is set to 1 without OMP_NUM_THREADS
2021-04-25 00:19:22 -04:00
b0cd6b3ef7
improve docs also for related functions
2021-04-24 22:08:28 -04:00
7e7a448a08
remove the old versions of the utility function and use the new
2021-04-24 21:33:36 -04:00
8e5e995188
add docs for new utility function
2021-04-24 21:32:29 -04:00
539ab02365
provide more generic implementation of Comm::read_lines_from_file() in utils
2021-04-24 21:05:11 -04:00
92a9994fd4
silence compiler warnings by avoiding to shadow variables
2021-04-24 18:38:12 -04:00
4738337e47
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
e4c7c23843
move sanitizer and iwyu configuration to Testing module and update iwyu
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this changes the iwyu configuration so that it will check for using
GNU or Clang only as supported compilers, enforces the necessary recording
of compilation commands in a json file and tweaks the "iwyu" target
to work around an issue with the current iwyu implementation by placing
the "native" runtime of the chosen compiler first
2021-04-24 11:09:09 -04:00
e6f57cdf2c
minor tweaks
2021-04-24 07:21:29 -04:00
66f690004d
correctly test move constructors
2021-04-24 07:14:49 -04:00
