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Remove molecule from IntegralHelper #103

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gustavojra opened this issue Aug 9, 2021 · 0 comments
Open

Remove molecule from IntegralHelper #103

gustavojra opened this issue Aug 9, 2021 · 0 comments
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enhancement New feature or request
Milestone
1.0

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@gustavojra
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It is pointless since a BasisSet is mandatory and it contains molecule already. Moreover, it can be a source of bugs. Currently (v0.3.0). Fermi will ignore molecule inputs given directly to the IntegralHelper. I have that fixed, needs PR.
@gustavojra gustavojra added the enhancement New feature or request label Aug 11, 2021
@gustavojra gustavojra added this to the 1.0 milestone Aug 11, 2021
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