Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Functions | |
std::unordered_map< int, Utils::AtomicGtos > | Scine::Sparrow::Sto6g::pm3 () |
Default parameters for PM3. | |
This file contains functions generating runtime values. It was generated from runtime values of its return type. It is not intended to be human-readable. A small guide: Return values are directly brace-initialized in deep nesting to keep file size to a minimum. Types are annotated only when necessary. Floating point values are represented in hexadecimal (see std::hexfloat) to ensure serialization does not cause loss of accuracy.
The functions defined here might be declared and called elsewhere entirely.