f61b02eebf
Untested Install.py for traditional make process
2021-04-29 23:40:53 +02:00
95285f9365
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-26 23:52:59 +02:00
ad843f977f
Auto-download works now for CMake build.
2021-04-26 23:46:27 +02:00
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
07d4b09eb6
Updated CMake files, auto-download not yet working
2021-04-26 00:03:07 +02:00
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
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
93691ca939
Merge pull request #2723 from rbberger/gpu_cmake
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CMake: Add missing defines to GPU kernel compilation
2021-04-23 21:19:20 -04:00
5933750a85
Merge pull request #2717 from akohlmey/collected-small-changes
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Collected small changes and bugfixes
2021-04-23 19:59:35 -04:00
9cdd926763
remove excess quotes
2021-04-23 19:19:41 -04:00
ed926812dc
simplify
2021-04-23 18:47:57 -04:00
8a49bf3a31
fix missing argument bug in velocity code and simplify a second case
2021-04-23 18:47:02 -04:00
917cd1b924
silence more compiler warnings
2021-04-23 16:57:39 -04:00
99fa6ed4b4
delay part of the variable.cpp refactoring until we have better unit testing for it.
2021-04-23 16:50:35 -04:00
f47333bebf
Update MathJax to 3.1.4 hotfix version
2021-04-23 16:38:54 -04:00
b7272bbbf7
restore variable declaration
2021-04-23 16:38:37 -04:00
24314b2316
Formatting
2021-04-23 16:36:01 -04:00
8ba1b59d8d
Correct fprintf statement in debug code
2021-04-23 16:34:12 -04:00
15ce976dba
simplify
2021-04-23 16:32:27 -04:00
ef858ae70f
silence compiler warnings
2021-04-23 16:19:57 -04:00
f759e6ffcf
don't implicitly assume an undefined define equals 0
2021-04-23 15:51:43 -04:00
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
5a12baeef9
remove dead code and silence compiler warnings
2021-04-23 15:14:01 -04:00
6a1a58d727
Added CMake imported target N2P2::N2P2
2021-04-23 17:56:35 +02:00
8ea5b8c41b
add false positives for recently added docs
2021-04-23 11:22:50 -04:00
a438c2bc7b
tweak unit test YAML epsilon values for GPU mixed precision tests to pass
2021-04-23 05:43:03 -04:00
cbf81a5f9f
make detection of styles more specific and still support suffixed versions
2021-04-23 05:15:28 -04:00
92cc30e7ba
correctly determine the number of active pair style instances
2021-04-23 05:13:36 -04:00
7bae94cb49
fix cut-n-paste bug detected by coverity scan
2021-04-23 04:39:21 -04:00
c8d16353e8
Merge pull request #2724 from akohlmey/consistent-lammps-url-comment
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Consistent LAMMPS header comments and URL fixes
2021-04-23 04:20:27 -04:00
ec7d3410f3
add or correct some more LAMMPS header comments
2021-04-22 22:26:27 -04:00
78d1c33bbe
a few more http://lammps.sandia.gov to https://lammps.sandia.gov updates
2021-04-22 21:42:34 -04:00
ac9f1fba86
small fixes
2021-04-22 21:40:10 -04:00
61e931ba31
add missing LAMMPS header comment
2021-04-22 21:38:29 -04:00
1ac3991aad
Lammps -> LAMMPS
2021-04-22 21:37:54 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
4ccb4c9603
CMake: Add missing defines to GPU kernel compilation
2021-04-22 18:46:07 -04:00
53a0ded240
update MathJax version for CMake based doc build
2021-04-22 16:26:49 -04:00
a2e46c47e3
download only a specific tag/version of MathJax when cloning
2021-04-22 16:20:34 -04:00
65cef12ae2
print compiled in accelerator configuration with ./lmp -h
2021-04-22 16:10:51 -04:00
69d41dc16c
Merge pull request #2720 from rbberger/gpu_updates
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Update GPU package to allow using CUDA 11.3 drivers
2021-04-22 14:28:51 -04:00
