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d90138d4

Commit d90138d4 authored 4 months ago by mkirsz

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CASTEP .geom reader.

parent f0cffcb9

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include/tadah/mlip/dataset_readers/castep_geom_reader.h 66 additions, 0 deletions

include/tadah/mlip/dataset_readers/castep_geom_reader.h
include/tadah/mlip/dataset_readers/castep_md_reader.h 22 additions, 14 deletions

include/tadah/mlip/dataset_readers/castep_md_reader.h
src/castep_geom_reader.cpp 20 additions, 0 deletions

src/castep_geom_reader.cpp
src/castep_md_reader.cpp 10 additions, 3 deletions

src/castep_md_reader.cpp

with 118 additions and 17 deletions

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