Struct ExtensionSettings 

pub struct ExtensionSettings {
    pub gaussian: String,
    pub orca: String,
    pub xtb: String,
    pub bagel: String,
    pub custom: String,
}

File extension settings for different quantum chemistry programs.

Fields

gaussian: String

Gaussian output file extension (default: “log”)

orca: String

ORCA output file extension (default: “out”)

xtb: String

XTB output file extension (default: “out”)

bagel: String

BAGEL output file extension (default: “json”)

custom: String

Custom QM program output file extension (default: “log”)

Trait Implementations

impl Clone for ExtensionSettings

fn clone(&self) -> ExtensionSettings

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for ExtensionSettings

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for ExtensionSettings

fn default() -> Self

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for ExtensionSettings

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for ExtensionSettings

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.