Binding

mechanica.bind

alias of mechanica.mechanica.MxBind

class mechanica.MxBind
static particles(p: MxPotential, a: MxParticle, b: MxParticle) → HRESULT

Bind a potential to a pair of particles

Parameters
Return type

int

Returns

HRESULT

static types(p: MxPotential, a: MxParticleType, b: MxParticleType, bound: bool = False) → HRESULT

Bind a potential to a pair of particle types.

Automatically updates when running on a CUDA device.

Parameters

  • p (MxPotential) – The potential

  • a (MxParticleType) – The first type

  • b (MxParticleType) – The second type

  • bound (boolean) – Flag signifying whether this potential exclusively operates on particles of different clusters, optional

Return type

int

Returns

HRESULT

static boundaryConditions(p: MxPotential, t: MxParticleType) → HRESULT

Bind a potential to a pair of particle type and all boundary conditions.

Automatically updates when running on a CUDA device.

Parameters
Return type

int

Returns

HRESULT

static boundaryCondition(p: MxPotential, bc: MxBoundaryCondition, t: MxParticleType) → HRESULT

Bind a potential to a pair of particle type and a boundary conditions.

Automatically updates when running on a CUDA device.

Parameters
Return type

int

Returns

HRESULT

static force(*args) → HRESULT

Overload 1:

Bind a force to a particle type

Parameters
Return type

int

Returns

HRESULT


Overload 2:

Bind a force to a particle type with magnitude proportional to a species amount

Parameters

  • force (MxForce) – The force

  • a_type (MxParticleType) – The particle type

  • coupling_symbol (string) – The symbol of the species

Return type

int

Returns

HRESULT

static bonds(potential, particles, cutoff, pairs=None, half_life=None, bond_energy=None, flags=0)