Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Classes | |
struct | Scine::Sparrow::detail::RestrictedBase |
Result of the pruning procedure. Restricted specialization. Note: all quantities are sorted in increasing energy order. More... | |
struct | Scine::Sparrow::detail::UnrestrictedBase |
Result of the pruning procedure. Unrestricted specialization. Has an additional "isBeta" bool vector. Note: all quantities are sorted in increasing energy order. More... | |
class | Scine::Sparrow::OrderedInput< restrictedness > |
Ordered input for the TDDFTB eigenvalue solver. Contains quantities in increasing energetic order. More... | |