dftd3 0.2.1

FFI bindings and wrappers of simple-dftd3
Documentation 
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/*!

# DFTD3 API specification document entrance

For API users, the most important part of this crate is the [`interface`]
module. The commonly used functions and structs can be

- [`DFTD3Model`](interface::DFTD3Model): serve as main driver struct for DFTD3.
- [`dftd3_load_param`](interface::dftd3_load_param): load parameters with xc-functional and DFT-D3 version specified.
- [`dftd3_parse_damping_param_from_toml`](parsing::dftd3_parse_damping_param_from_toml): parse damping parameters from TOML string (supports method lookup and overrides). Similar counterpart of json can also found if crate feature `json` is enabled. Please refer to [parsing] module for more details and examples.

To specify custom DFT-D3 parameters, some structs you may interest.

- [`DFTD3RationalDampingParam`](interface::DFTD3RationalDampingParam) for rational damping;
- [`DFTD3ZeroDampingParam`](interface::DFTD3ZeroDampingParam) for zero damping;
- [`DFTD3ModifiedRationalDampingParam`](interface::DFTD3ModifiedRationalDampingParam) for modified rational damping;
- [`DFTD3ModifiedZeroDampingParam`](interface::DFTD3ModifiedZeroDampingParam) for modified zero damping;
- [`DFTD3OptimizedPowerDampingParam`](interface::DFTD3OptimizedPowerDampingParam) for optimized power damping.

You may also check [`DFTD3Param`](interface::DFTD3Param), but note that this struct is somehow low-level API, so use it with more care.

*/
#![doc = include_str!("../readme.md")]

// Use ffi module from ffi/ directory for both static and dynamic loading
#[cfg(not(feature = "dynamic_loading"))]
pub mod ffi_static;
#[cfg(not(feature = "dynamic_loading"))]
pub use ffi_static as ffi;

#[cfg(feature = "dynamic_loading")]
pub mod ffi_dynamic;
#[cfg(feature = "dynamic_loading")]
pub use ffi_dynamic as ffi;

pub mod interface;
pub mod parameters;
pub mod parsing;

#[cfg(feature = "gcp")]
pub mod interface_gcp;

pub mod prelude {
    //! Use `dftd3::prelude::*` to import all the commonly used structs and
    //! functions.
    pub use crate::interface::*;
    pub use crate::parameters::*;
    pub use crate::parsing::*;

    #[cfg(feature = "gcp")]
    pub use crate::interface_gcp::*;
}