#include <string>
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std::string | Scine::SwooseUtilities::BasicJobSubmissionHelper::determineMethodFamily (std::string method, std::string referenceProgram) |
| Determines the method family for the employed methods/programs.
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std::string | Scine::SwooseUtilities::BasicJobSubmissionHelper::determineBasisSet (const Utils::Settings &settings) |
| Determines whether the basis set for the employed methods/programs should be empty. If not, it returns the basis set from the settings (given as an argument).
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- Copyright
- This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.