Merge devel into master#1864
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Merge master into devel
Wrongly written as "cuda assert" (deepmodeling#1801).
* add op docs Also add op docs to ProdEnvMatA Op to show an example of how to write Op docs. * add another equation * avoid mismatching
…g#1744) * There's no need for building libtensorflow_cc.so anymore * update symbolic link * Update source/cmake/Findtensorflow.cmake Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * add support for unit-test * Update install-from-source.md * bump the cmake version at setup.py * set _GLIBCXX_USE_CXX11_ABI flag globally Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Fix deepmodeling#1806. Fix deepmodeling#1792. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Follow up deepmodeling#1789. It can be detected by valgrind.
fix deepmodeling#1815 Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
* merge CMake test codes via `add_subdirectory` Avoid maintaining duplicated codes. * remove pthread; use openmp instead
See deepmodeling#1746 (comment) Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
fix deepmodeling#1823 Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Bare `pair_coeff` is not allowed in the recent versions of LAMMPS.
Ref: https://stackoverflow.com/a/2221535/9567349 Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
* add variant info to output message * fix compilation error Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
So credits will keep up-to-date. No one's contribution will be forgot. For detailed implementation, see also deepmodeling/deepmodeling_sphinx#18.
* revert prod_force OMP in deepmodeling#1360 Sometimes when box is quite small (i.e. box size < 2 * rcut), the same atom may repeat to appear in the neighbor list. This cause inaccurate results when using OMP. * do not update pip Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * revert pining pip; setting env for setuptools>=64 Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov Report
@@ Coverage Diff @@
## master #1864 +/- ##
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- Coverage 77.00% 61.53% -15.47%
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Files 118 4 -114
Lines 9414 13 -9401
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- Hits 7249 8 -7241
+ Misses 2165 5 -2160 Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. |
njzjz
approved these changes
Aug 19, 2022
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merge recent changes on devel branch into master branch