Mjv ddb convertor reintegration in public branch#128
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…files, should be generalized to other formats
…asing with long range IFCs in the Wigner Seitz cell. Treatment appears to differ wrt anaddb
merge trunk
…al order for ifc2 in the forceconstant filegit add Makefile
…h and in ifc_solver. Might be ok, at least produces same forceconstants as before
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convert other codes' formats to forceconstant file
main use case is seeding the canonical configurations, could also clean the ifc or do other things with TDEP's insane functionalities