input options not being read

[Gustavo Aroeira]

kwargs passed into correlated methods do not contain options from input.

Example:

Running @show kwargs in the FCI.jl module gives:

kwargs = Base.Iterators.Pairs{Symbol,Integer,NTuple{4,Symbol},NamedTuple{(:quiet, :return_T, :doprint, :maxit),Tuple{Bool,Bool,Bool,Int64}}}(:quiet => true,:return_T => false,:doprint => false,:maxit => 40)

whereas the input is

molecule = """
O        0.6885121727      3.2554927152      0.0182296548
H        1.6778385289      3.2260045029     -0.0128703987
H        0.3991468355      2.6038848620     -0.6689954280
"""
--
options = Dict(
    "reference" => "rhf",
    "basis" => "sto-3g",
    :do_pT => true,
    :frozen => 1,
    :active => 7
)
--
command = JuES.ConfigurationInteraction.FCI.do_fci

[Matthew McAllister Davis]

Interesting. I'll take a look tomorrow AM. My hunch is that it is a small bug in the input processor.