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cleaning up MP2_Hessian.py #123

Merged
merged 1 commit into from
May 14, 2022
Merged

cleaning up MP2_Hessian.py #123

merged 1 commit into from
May 14, 2022

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kcpearce
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Description

Genera and very basic clean up of MP2_Hessian.py script

What are your new additions? Please provide a brief list.

  • Changes
    • Renamed anonymous custom basis set to a more easily understood "STO-3G_CFOUR"
    • Correct "H_psi4" to "H_cfour"
    • Correct "RHF-HESSIAN-TEST" to "MP2-HESSIAN-TEST"

Status

  • Click when ready for review-and-merge

dgasmith
dgasmith approved these changes May 14, 2022
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Nice, LGTM!

@dgasmith dgasmith merged commit 0d2b091 into psi4:master May 14, 2022
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@dgasmith dgasmith dgasmith approved these changes

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@kcpearce @dgasmith