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Check g-shell get_erd_norm_const #47

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CDSherrill opened this issue Mar 13, 2014 · 3 comments
Closed

Check g-shell get_erd_norm_const #47

CDSherrill opened this issue Mar 13, 2014 · 3 comments

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@CDSherrill
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Ryan thinks this routine seems to be giving wrong values for g-shells. Check.
@jturney
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jturney commented Mar 18, 2014

How are the d- and f-shell integrals? I'm not finding any code that is specific to g-shell normalization.

Also, I'm not finding that specific function. I was just looking in void ShellInfo::erd_normalize_shell().

@CDSherrill
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Hm, maybe Ryan said Gaussian-shell instead of g-shell. We discussed this a little today. I think Ryan is getting correct answers, so I'm not sure whether this remains an action item or not. Ryan can comment.

@ryanmrichard
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This is fixed

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@jturney @CDSherrill @ryanmrichard