Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Types | |
using | MatrixType = std::array< std::array< double, 3 >, 3 > |
using | MapType = std::unordered_map< int, MatrixType > |
Public Member Functions | |
void | patch (SkfSpinConstants other) |
Static Public Member Functions | |
static SkfSpinConstants | read (const std::string &filename) |
Public Attributes | |
MapType | map |