Copyright | Phillip Seeber 2024 |
---|---|
License | BSD-3-Clause |
Maintainer | phillip.seeber@uni-jena.de |
Stability | experimental |
Portability | POSIX |
Safe Haskell | Safe-Inferred |
Language | GHC2021 |
TREXIO.HighLevel.Records
Description
Documentation
Constructors
Amplitude | |
Fields
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Instances
Constructors
Ao | |
Instances
Generic Ao Source # | |
Show Ao Source # | |
Eq Ao Source # | |
Ord Ao Source # | |
type Rep Ao Source # | |
Defined in TREXIO.HighLevel.Records type Rep Ao = D1 ('MetaData "Ao" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "Ao" 'PrefixI 'True) ((S1 ('MetaSel ('Just "cartesian") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)) :*: S1 ('MetaSel ('Just "normalization") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double)))) :*: (S1 ('MetaSel ('Just "num") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)) :*: S1 ('MetaSel ('Just "shell") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Int)))))) |
Constructors
Ao1eInt | |
Fields
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Instances
Constructors
Ao2eInt | |
Instances
Constructors
Instances
Constructors
Cell | |
Instances
Constructors
Csf | |
Instances
Generic Csf Source # | |
Show Csf Source # | |
Eq Csf Source # | |
Ord Csf Source # | |
type Rep Csf Source # | |
Defined in TREXIO.HighLevel.Records type Rep Csf = D1 ('MetaData "Csf" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "Csf" 'PrefixI 'True) (S1 ('MetaSel ('Just "coefficient") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double))) :*: (S1 ('MetaSel ('Just "detCoefficient") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (CooArray U Ix2 Double))) :*: S1 ('MetaSel ('Just "num") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int))))) |
data Determinant Source #
Constructors
Determinant | |
Instances
Constructors
Ecp | |
Instances
Instances
Generic Electron Source # | |
Show Electron Source # | |
Eq Electron Source # | |
Ord Electron Source # | |
Defined in TREXIO.HighLevel.Records | |
type Rep Electron Source # | |
Defined in TREXIO.HighLevel.Records type Rep Electron = D1 ('MetaData "Electron" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "Electron" 'PrefixI 'True) (S1 ('MetaSel ('Just "dnNum") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)) :*: (S1 ('MetaSel ('Just "num") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)) :*: S1 ('MetaSel ('Just "upNum") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int))))) |
Constructors
Grid | |
Fields
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Instances
Constructors
Jastrow | |
Fields
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Instances
Constructors
Metadata | |
Instances
Constructors
Mo | |
Fields
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Instances
Constructors
Mo1eInt | |
Fields
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Instances
Constructors
Mo2eInt | |
Instances
Constructors
Nucleus | |
Instances
Constructors
Pbc | |
Instances
Generic Pbc Source # | |
Show Pbc Source # | |
Eq Pbc Source # | |
Ord Pbc Source # | |
type Rep Pbc Source # | |
Defined in TREXIO.HighLevel.Records type Rep Pbc = D1 ('MetaData "Pbc" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "Pbc" 'PrefixI 'True) ((S1 ('MetaSel ('Just "kPoint") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double))) :*: S1 ('MetaSel ('Just "kPointNum") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int))) :*: (S1 ('MetaSel ('Just "kPointWeight") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double))) :*: S1 ('MetaSel ('Just "periodic") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int))))) |
Constructors
Qmc | |
Instances
Generic Qmc Source # | |
Show Qmc Source # | |
Eq Qmc Source # | |
Ord Qmc Source # | |
type Rep Qmc Source # | |
Defined in TREXIO.HighLevel.Records type Rep Qmc = D1 ('MetaData "Qmc" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "Qmc" 'PrefixI 'True) ((S1 ('MetaSel ('Just "eLoc") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double))) :*: S1 ('MetaSel ('Just "num") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int))) :*: (S1 ('MetaSel ('Just "point") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Array S Ix3 Double))) :*: S1 ('MetaSel ('Just "psi") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector S Double)))))) |
Constructors
Rdm | |
Fields
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Instances
Constructors
State | |
Instances
Generic State Source # | |
Show State Source # | |
Eq State Source # | |
Ord State Source # | |
type Rep State Source # | |
Defined in TREXIO.HighLevel.Records type Rep State = D1 ('MetaData "State" "TREXIO.HighLevel.Records" "trexio-hs-0.1.0-inplace" 'False) (C1 ('MetaCons "State" 'PrefixI 'True) ((S1 ('MetaSel ('Just "currentLabel") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Text)) :*: (S1 ('MetaSel ('Just "energy") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Double)) :*: S1 ('MetaSel ('Just "fileName") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector B Text))))) :*: (S1 ('MetaSel ('Just "id") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)) :*: (S1 ('MetaSel ('Just "label") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe (Vector B Text))) :*: S1 ('MetaSel ('Just "num") 'NoSourceUnpackedness 'NoSourceStrictness 'DecidedLazy) (Rec0 (Maybe Int)))))) |
Constructors
TREXIO | |
Fields
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