Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
.gitignore		.gitignore
Makefile		Makefile
README.md		README.md
WFNq.h5		WFNq.h5
read_wfn.cpp		read_wfn.cpp
wfn_compare.py		wfn_compare.py
write_wfn.cpp		write_wfn.cpp

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Instructions

Type make.
Run ./read_wfn.x to read WFNq.h5 and dump it in text files.
Run ./write_wfn.x to write output file WFN_new.h5.
Run ./wfn_compare.py to check the correctness

Note: we only write /wfns/gvecs and /wfns/coeffs.

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Example code for reading BGW WFN format in HDF5 format

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