Brandon Eskridge

icon company Flatiron Institute icon location New York, NY icon location Computational scientist with a PhD in physics, currently working in theoretical quantum chemistry / condensed matter physics.

Results 1 issues of Brandon Eskridge

Fix incorrect parsing of FCIDUMP with complex-valued integrals

2 comment

The FCIDUMP format with complex-valued integrals should have format: ``` V_real V_imag a b c d ``` and ```c++ boost::split(tok, msg, is_any_of(", \t()"), token_compress_on); ``` should split each line into...