Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::Sto6gBasisTest Member List

This is the complete list of members for Scine::Sparrow::Sto6gBasisTest, including all inherited members.

coefficientsAreNonZero(const std::vector< Utils::Gtf > &gtfs) (defined in Scine::Sparrow::Sto6gBasisTest)Scine::Sparrow::Sto6gBasisTestinline
convertGtoToString(const Utils::ElementType &ele, const Utils::AtomicGtos &aos, std::string methodName) (defined in Scine::Sparrow::Sto6gBasisTest)Scine::Sparrow::Sto6gBasisTestinline
filesAreIdentical(const std::string &p1, const std::string &p2) (defined in Scine::Sparrow::Sto6gBasisTest)Scine::Sparrow::Sto6gBasisTestinline
writeBasisFile(const Parameters &param, std::string &methodName) (defined in Scine::Sparrow::Sto6gBasisTest)Scine::Sparrow::Sto6gBasisTestinline
writeGtfLine(std::string &out, const Utils::Gtf &gtf) (defined in Scine::Sparrow::Sto6gBasisTest)Scine::Sparrow::Sto6gBasisTestinline