Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::Sto6gBasisTest Class Reference
Inheritance diagram for Scine::Sparrow::Sto6gBasisTest:
Inheritance graph
Collaboration diagram for Scine::Sparrow::Sto6gBasisTest:
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Public Member Functions

bool coefficientsAreNonZero (const std::vector< Utils::Gtf > &gtfs)
 
void writeGtfLine (std::string &out, const Utils::Gtf &gtf)
 
std::string convertGtoToString (const Utils::ElementType &ele, const Utils::AtomicGtos &aos, std::string methodName)
 
std::string writeBasisFile (const Parameters &param, std::string &methodName)
 
bool filesAreIdentical (const std::string &p1, const std::string &p2)
 
The documentation for this class was generated from the following file: