Struct MdOverrides 

pub struct MdOverrides {
    pub allow_missing_dihedral_params: bool,
    pub skip_water: bool,
    pub bonded_disabled: bool,
    pub coulomb_disabled: bool,
    pub lj_disabled: bool,
    pub long_range_recip_disabled: bool,
    pub thermo_disabled: bool,
    pub baro_disabled: bool,
}

These are primarily used for debugging and testing, but may be used for specific scenarios as well, e.g. if wishing to speed up computations for real-time use by removing long range forces.

Fields

allow_missing_dihedral_params: bool

skip_water: bool

bonded_disabled: bool

coulomb_disabled: bool

lj_disabled: bool

long_range_recip_disabled: bool

thermo_disabled: bool

baro_disabled: bool

Trait Implementations

impl Clone for MdOverrides

fn clone(&self) -> MdOverrides

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MdOverrides

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

Formats the value using the given formatter.

impl Default for MdOverrides

fn default() -> MdOverrides

Returns the “default value” for a type.

impl PartialEq for MdOverrides

fn eq(&self, other: &MdOverrides) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for MdOverrides