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Fix incorrect parsing of FCIDUMP with complex-valued integrals

Open bkesk opened this issue 9 months ago • 2 comments

The FCIDUMP format with complex-valued integrals should have format:

  V_real V_imag a b c d

and

boost::split(tok, msg, is_any_of(", \t()"), token_compress_on);

should split each line into 6 tokens, not 7, unless some unexpected whitespace character is included before V_real.

bkesk avatar May 01 '24 13:05 bkesk