quTARANG package

Subpackages

• quTARANG.univ package
  • Submodules
  • quTARANG.univ.fns module
    • gradient()
    • integralk()
    • integralr()
  • quTARANG.univ.grid module
    • Grid
      • Grid.setupX()
      • Grid.setupY()
      • Grid.setupZ()
      • Grid.setup_grid()
      • Grid.setup_meshgrid()
  • quTARANG.univ.my_fft module
    • forward_transform()
    • inverse_transform()
  • quTARANG.univ.params module
    • Params
  • Module contents

Submodules

quTARANG.IO module

quTARANG.IO.compute_ektk(G, t)

quTARANG.IO.compute_energy(G, t)

quTARANG.IO.compute_rms(G, t)

quTARANG.IO.gen_path(file_loc)

quTARANG.IO.save_ektk(G)

quTARANG.IO.save_energy(G)

quTARANG.IO.save_rms(G)

quTARANG.IO.save_wfc(G, t)

quTARANG.evolution module

quTARANG.evolution.compute_rhs(G, psik)

quTARANG.evolution.set_scheme(G)

quTARANG.evolution.time_adv_irk4(G)

RK4 scheme for imaginary time evolution

Parameters

G : GPE class

quTARANG.evolution.time_adv_istrang(G)

quTARANG.evolution.time_adv_rk4(G)

RK4 scheme for evolution

Parameters

G : GPE class

quTARANG.evolution.time_adv_strang(G)

quTARANG.evolution.time_advance(G)

quTARANG.evolution.time_advance_ms(G)

quTARANG.evolution.tssp_stepk(G, dt: float)

Step of the TSSP Scheme to be taken in k space

Parameters

G : GPE class dt : float

Returns

ndarray

wavefunction after evolution

quTARANG.evolution.tssp_stepr(G, dt: float)

Step of the TSSP Scheme to be taken in real space

Parameters

G : GPE class dt : float

Returns

ndarray

wavefunction after evolution

quTARANG.gpe module

class quTARANG.gpe.GPE(params: Params)

Bases: object

Main class for the simulation.

KE_decomp()

This function calculates the kinetic energy decomposition

Returns

arrays

arrays containing the kinetic energy decomposition

binning(quantity)

comp_KEcomp_spectrum()

compute_chempot()

compute_energy()

compute_internal_energy()

compute_kinetic_energy()

compute_norm()

Computes the normalisation constant for the current wavefunction.

Returns

float

Normalisation constant

compute_potential_energy()

compute_quantum_energy()

compute_rrms()

compute_velocity()

compute_xrms()

compute_yrms()

compute_zrms()

evolve()

evolve_ms()

omegak()

renormalize(normFact: float = 1.0)

Renormalisation of the wavefunction.

Parameters

normFactfloat, optional

The new normalisation constant of the wavefunction, by default 1.0

set_arrays()

Setup numpy/cupy arrays for wfc, wfck and pot for the simulation.

set_init(wfc_function, pot_function)

Initial setup of wavefunction and potential for the simulation.

Parameters

funfunction

returns the functional form of the wavefunction and potential.

class quTARANG.gpe.Vector_field(params: Params)

Bases: object

It contains the variables which helps to calculate the different physical quantities of GPE class

Vx = []

Vy = []

Vz = []

omegai_kx = []

omegai_ky = []

omegai_kz = []

set_arrays(params: Params)

temp = []

Module contents