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For CCSD(T) add separate entry for (T) contributions to cc_properties #64

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sjrl opened this issue Jun 14, 2019 · 2 comments
Closed

For CCSD(T) add separate entry for (T) contributions to cc_properties #64

sjrl opened this issue Jun 14, 2019 · 2 comments

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@sjrl
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sjrl commented Jun 14, 2019

For CCSD(T) add separate entry for (T) contributions to cc_properties

@mattwelborn
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mattwelborn commented Dec 2, 2019

Is this satisfied by

cc_properties['ccsd_prt_pr_correlation_energy'] = {
"type":
"number",
"description":
"The CCSD(T) correlation energy."
}
cc_properties['ccsd_prt_pr_total_energy'] = {
"type":
"number",
"description":
"The total CCSD(T) energy (CCSD(T) correlation energy + HF energy)."
}
?

@dgasmith
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dgasmith commented Dec 2, 2019

Yes.

@dgasmith dgasmith closed this as completed Dec 2, 2019
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3 participants