Ricc2

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[1] COSMO-ADC(2) excited gradients

[2] Printing configurations with smaller weights for excited states in ricc2 calc.

[3] Calculating only particular higher-lying excited states (S3-S6) with ADC2/CC2

[4] Getting MP2 or CC2 gradients for S0 in the gradient file without jobex script

[5] spin orbit coupling between excited singlet and triplet states

[6] frequency mismatch in cc density module

[7] Queerness/Issue observed with RI-basis set

[8] Geometry optimization of the lowest triplet state

[9] CC2 with COSMO for excited states

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