NN list with binning (9a0860d0) · Commits · Tadah / MLIP · GitLab

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9a0860d0

Commit 9a0860d0 authored 4 weeks ago by mkirsz

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NN list with binning

parent b11426af

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Changes 7

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include/tadah/mlip/descriptors_calc.hpp 5 additions, 3 deletions

include/tadah/mlip/descriptors_calc.hpp
include/tadah/mlip/nn_finder.h 150 additions, 28 deletions

include/tadah/mlip/nn_finder.h
include/tadah/mlip/structure.h 11 additions, 6 deletions

include/tadah/mlip/structure.h
include/tadah/mlip/structure_db.h 9 additions, 0 deletions

include/tadah/mlip/structure_db.h
src/nn_finder.cpp 263 additions, 85 deletions

src/nn_finder.cpp
src/structure.cpp 24 additions, 4 deletions

src/structure.cpp
src/structure_db.cpp 77 additions, 0 deletions

src/structure_db.cpp

with 539 additions and 126 deletions

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