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Molcas symmetrized orbital generation#116

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tjduigna merged 5 commits intoexa-analytics:masterfrom
tjduigna:master
May 3, 2018
Merged

Molcas symmetrized orbital generation#116
tjduigna merged 5 commits intoexa-analytics:masterfrom
tjduigna:master

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@tjduigna tjduigna commented May 3, 2018

Implements symmetrized orbital viz. very alpha but seems to work for a C2H6 and an AmCl6.

@tjduigna tjduigna merged commit 7471bd5 into exa-analytics:master May 3, 2018
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