def test_gpDroplet3DSpherical(self):
settings = {
"geometry": {
"shape": [1000],
"domain": [[0, 50.0]],
"coordinates": "spherical",
"bc": ["neumann"]
},
"functional": {
"name": "gpDroplet3D",
"laplacian": {
"name": "stencilLaplacian2",
"order": 2
}
},
"run": {
"label": "gpGroundState",
"stepsPerBlock": 10000,
"nBlocks": 1000,
"timeStep": 1e-4,
"stepper": "RK4",
"imaginaryTime": True
},
"normalization": 19.,
"components": 1,
"name": "testGPDropletSphericalBins"
}
geo = gp.geometry(**settings["geometry"])
r2 = geo.positions(0)**2
alpha = 0.1
y = np.exp(-alpha * r2) + 0 * 1j
gp1D_c.run(y, settings)
def test_harmonic1D(self):
settings = {
"geometry": {
"shape": [1000],
"domain": [[-5, 5]],
"coordinates": "cartesian",
"bc": ["periodic"]
},
"functional": {
"name": "harmonic",
"omega": 1.0,
"laplacian": {
"name": "amrexLaplacian",
"order": 2
}
}
}
geo = gp.geometry(**settings["geometry"])
r2 = geo.positions(0)**2
alpha = 1.
y = np.exp(-alpha * r2) + 0 * 1j
hy = y * (alpha + r2 * (-2 * alpha * alpha + 0.5))
y2 = gp1D_c.evaluate(y, settings)
plt.plot(geo.positions(0).flatten(), y2.flatten())
plt.plot(geo.positions(0).flatten(), hy, label="exact")
plt.legend()
self.assertAlmostEqual(np.max(np.abs(np.real(y2 - hy))), 0, delta=1e-3)
def test_harmonic3D(self):
settings = {
"geometry": {
"shape": [128, 128, 128],
"domain": [[-5, 5], [-5, 5], [-5, 5]],
"coordinates": "cartesian"
},
"functional": {
"name": "harmonic",
"omega": 1.0,
"laplacian": {
"name": "stencilLaplacian2",
"order": 2
}
}
}
geo = gp.geometry(**settings["geometry"])
r2 = geo.positions(0)**2 + geo.positions(1)**2 + geo.positions(2)**2
alpha = 1.
y = np.exp(-alpha * r2) + 0 * 1j
hy = y * (3 * alpha + r2 * (-2 * alpha * alpha + 0.5))
y2 = gp3D_c.evaluate(y, settings)
self.assertAlmostEqual(np.max(np.abs(np.real(y2 - hy))), 0, delta=1e-2)
def test_saveMultifab(self):
geo = gp.geometry((40, 40, 40), [(-2, 2), (-2, 2), (-2, 2)])
r2 = geo.positions(0)**2 + geo.positions(1)**2 + geo.positions(2)**2
y = (np.exp(-r2) + 0 * 1j)
wave = gp.wavefunction(geo, [y], name="phi")
wave.save("phiTest")
wave2 = gp.loadWavefunction("phiTest")
y2 = wave2.phis[0]
assert (np.max(y2 - y) == 0)
def test_initGeometry(self):
shape = (128, 128, 128)
domain = ((-5, 5), (-5, 5), (-5, 5))
geo = gp.geometry(shape, domain)
self.assertEqual(shape, tuple(geo.shape))
self.assertEqual(geo.dimensions, len(shape))
self.assertTrue(geo.positions(0).shape == shape)
self.assertTrue(geo.positions(1).shape == shape)
self.assertTrue(geo.positions(2).shape == shape)
def test_saveMultifabGhosts(self):
geo = gp.geometry((40, 40, 40), [(-2, 2), (-2, 2), (-2, 2)])
r2 = geo.positions(0, nGhosts=[2, 2, 2])**2 + geo.positions(
1, nGhosts=[2, 2, 2])**2 + geo.positions(2, nGhosts=[2, 2, 2])**2
y = (np.exp(-r2) + 0 * 1j)
wave = gp.wavefunction(geo, [y], name="phi", nGhosts=[2, 2, 2])
wave.save("phiGhostTest")
#y.shape
wave2 = gp.loadWavefunction("phiGhostTest")
y2 = wave2.phis[0]
assert (np.max(y2 - y) == 0)
def test_harmonicSpherical_cartesian(self):
settings = {
"geometry": {
"shape": [1000],
"domain": [[0, 5.0]],
"coordinates": "cartesian",
"bc": ["drichlet"]
},
"functional": {
"name": "harmonic",
"omega": 1.0,
"laplacian": {
"name": "stencilLaplacian2",
"order": 2
}
},
"run": {
"label": "gpGroundState",
"stepsPerBlock": 10000,
"nBlocks": 1000,
"timeStep": 1e-5,
"stepper": "RK4",
"imaginaryTime": True
},
"normalization": 1.0,
"components": 1,
}
geo = gp.geometry(**settings["geometry"])
r2 = geo.positions(0)**2
alpha = 1.
y = geo.positions(0) * np.exp(-alpha * r2) + 0 * 1j
gp1D_c.run(y, settings)
def test_harmonic3D(self):
settings = {
"geometry": {
"domain": [[-5.0, 5.0], [-5.0, 5.0], [-5.0, 5.0]],
"shape": [128, 128, 128],
"coordinates": "cartesian",
"bc": ["periodic", "periodic", "periodic"]
},
"run": {
"label": "gpGroundState",
"stepsPerBlock": 10,
"nBlocks": 100,
"timeStep": 1e-3,
"stepper": "RK4",
"imaginaryTime": True
},
"normalization": 1.0,
"components": 1,
"functional": {
"name": "harmonic",
"omega": 1.0,
"laplacian": {
"name": "stencilLaplacian2",
"order": 2
}
}
}
y = np.zeros(settings["geometry"]["shape"], dtype=complex)
geo = gp.geometry(**settings["geometry"])
alpha = 1
y += np.exp(
-alpha *
(geo.positions(0)**2 + geo.positions(1)**2 + geo.positions(2)**2))
gp3D_c.run(y, settings)
def getGeometry(self, i):
box = self.description["boxes"][i]
return gp.geometry(shape=box["shape"],
domain=box["domain"],
coordinates=self.description["coordinates"])
import gp
import gp_c
import numpy as np
from importlib import reload
from colorama import Fore, Back, Style, init
from math import *
init()
shape = (128, 128, 128)
domain = ((-5, 5.), (-5, 5), (-5, 5))
geo = gp.geometry(shape, domain)
#print(geo.positions(0))
y = np.exp(-(geo.positions(0)**2 + geo.positions(1)**2 + geo.positions(2)**2))
# setup of the simulation
settings = {
"geometry": {
"shape": shape,
"domain": domain
},
"algorithm": {
"stepper": "RK4",
"stepsPerBlock": 100,
"blocks": 1,
"timeStep": 1e-3,
"imaginary": True
}
}
gp_c.run(y, y * 0, geo)
def createGaussianInitialCondition(shape, domain):
geo = gp.geometry(shape=shape, domain=domain)
r2 = geo.positions(0)**2 + geo.positions(1)**2 + geo.positions(2)**2
y = np.exp(-r2)
wave = gp.wavefunction(geo, [y], name="phi")
return wave
