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This commit is contained in:
Aidan Thompson
2021-05-25 14:51:55 -06:00
parent a50c980595
commit c55997abca
2 changed files with 3 additions and 4 deletions
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2
doc/src/Build_development.rst
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@ -28,7 +28,7 @@ variable VERBOSE set to 1:
---------- ----------
.. _clang-tidy .. _clang-tidy:
Enable static code analysis with clang-tidy Enable static code analysis with clang-tidy
------------------------------------------- -------------------------------------------

3
doc/src/pair_hdnnp.rst
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@ -108,8 +108,7 @@ warning may look like this:
### NNP EXTRAPOLATION WARNING ### STRUCTURE: 0 ATOM: 119 ELEMENT: Cu SYMFUNC: 32 TYPE: 3 VALUE: 2.166E-02 MIN: 2.003E-05 MAX: 1.756E-02 ### NNP EXTRAPOLATION WARNING ### STRUCTURE: 0 ATOM: 119 ELEMENT: Cu SYMFUNC: 32 TYPE: 3 VALUE: 2.166E-02 MIN: 2.003E-05 MAX: 1.756E-02
stating that the value 2.166E-02 of symmetry function 32 of type 3 (angular stating that the value 2.166E-02 of symmetry function 32 of type 3 (Narrow Angular symmetry function), element Cu (see the log file for a symmetry function listing) was out
narrow), element Cu (see the log file for a symmetry function listing) was out
of bounds (maximum in ``scaling.data`` is 1.756E-02) for atom 119. Here, the of bounds (maximum in ``scaling.data`` is 1.756E-02) for atom 119. Here, the
atom index refers to the LAMMPS tag (global index) and the structure index is atom index refers to the LAMMPS tag (global index) and the structure index is
used to print out the MPI rank the atom belongs to. used to print out the MPI rank the atom belongs to.