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import { expect } from "chai"; | ||
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import { getAvailableDFTFunctionals, getPseudopotentialTypes } from "../src/tree"; | ||
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describe("tree", () => { | ||
it("can get a list of available DFT functionals", () => { | ||
const functionals = getAvailableDFTFunctionals(); | ||
const supportedFunctionals = ["pbe", "hse06", "b3lyp", "pz"]; | ||
expect(functionals).to.have.members(supportedFunctionals); | ||
}); | ||
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it("can get a list of pseudopotential types", () => { | ||
const ppTypes = getPseudopotentialTypes(); | ||
const supportedPseudoTypes = ["paw", "us", "nc", "any"]; | ||
expect(ppTypes).to.have.members(supportedPseudoTypes); | ||
}); | ||
}); |