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Added an example where the code fails (with the Schur error) to show …
…the problem of #133
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all: $(patsubst %.win, %.chk.fmt.bz2, $(wildcard *.win)) | ||
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%.chk.fmt.bz2: %.win | ||
$(eval SEEDNAME:=$(patsubst %.win, %, $<)) | ||
echo $(SEEDNAME) | ||
../../../wannier90.x $< && ../../../w90chk2chk.x -u2f $(SEEDNAME) && bzip2 $(SEEDNAME).chk.fmt && rm $(SEEDNAME).chk | ||
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.PHONY: all |
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