Docs.rs
xtb-model-0.0.6
xtb-model 0.0.6
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ybyygu
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anyhow ^1
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approx ^0.5
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65%
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i686-pc-windows-msvc
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xtb_
model
0.0.6
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Crate
xtb_model
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Source
Modules
§
libxtb
Low level wrapper for xtb api
test
test data adopted from xtb-src/test/api/c_api_example.c
Structs
§
XtbModel
High level abstraction for XTB evaluation of energy and gradient
XtbParameters
Possible parameters for XTB calculation.
Enums
§
XtbOutput
Verbosity