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Error in implementation of Crank-Nicolson method applied to 1D TDSE?

This is more of a computational physics problem, and I've asked it on physics stack exchange, but no answers on there. This is, I suppose, a mix of the disciplines on here and there (and maybe even mathematics stack exchange), so finding the right place to post is a task in of itself apparently...
I'm attempting to use Crank-Nicolson scheme to solve the TDSE in 1D. The initial wave is a real Gaussian that has been normalised wrt its probability density. As the solution evolves, a depression grows in the central peak of the real part of the wave, and the imaginary part's central trough is perhaps a bit higher than I expect (image below).
Does this behaviour seem reasonable? I have searched around and not seen questions/figures that are similar. I've tested another person's code from Github and it exhibits the same behaviour, which makes me feel a bit better. But I still think the center peak should just decrease in height and increase in width. The likelihood of me getting a physics-based explanation is relatively low here I'd assume, but a computational-based explanation on errors I may have made is more likely.
I'm happy to give more information, for example my code, or the matrices used in the scheme, etc. Thanks in advance!
Here's a link to GIF of time evolution:
And the part of my code relevant to solving the 1D TDSE:
(pretty much the entire thing except the plotting)
import numpy as np
import matplotlib.pyplot as plt
from matplotlib.animation import FuncAnimation
# Define function for norm.
def normf(dxc, uc, ic):
return sum(dxc * np.square(np.abs(uc[ic, :])))
# Define function for expectation value of position.
def xexpf(dxc, xc, uc, ic):
return sum(dxc * xc * np.square(np.abs(uc[ic, :])))
# Define function for expectation value of squared position.
def xexpsf(dxc, xc, uc, ic):
return sum(dxc * np.square(xc) * np.square(np.abs(uc[ic, :])))
# Define function for standard deviation.
def sdaf(xexpc, xexpsc, ic):
return np.sqrt(xexpsc[ic] - np.square(xexpc[ic]))
# Time t: t0 =< t =< tf. Have N steps at which to evaluate the CN scheme. The
# time interval is dt. decp: variable for plotting to certain number of decimal
# places.
t0 = 0
tf = 20
N = 200
dt = tf / N
t = np.linspace(t0, tf, num = N + 1, endpoint = True)
decp = str(dt)[::-1].find('.')
# Initialise array for filling with norm values at each time step.
norm = np.zeros(len(t))
# Initialise array for expectation value of position.
xexp = np.zeros(len(t))
# Initialise array for expectation value of squared position.
xexps = np.zeros(len(t))
# Initialise array for alternate standard deviation.
sda = np.zeros(len(t))
# Position x: -a =< x =< a. M is an even number. There are M + 1 total discrete
# positions, for the points to be symmetric and centred at x = 0.
a = 100
M = 1200
dx = (2 * a) / M
x = np.linspace(-a, a, num = M + 1, endpoint = True)
# The gaussian function u diffuses over time. sd sets the width of gaussian. u0
# is the initial gaussian at t0.
sd = 1
var = np.power(sd, 2)
mu = 0
u0 = np.sqrt(1 / np.sqrt(np.pi * var)) * np.exp(-np.power(x - mu, 2) / (2 * \
var))
u = np.zeros([len(t), len(x)], dtype = 'complex_')
u[0, :] = u0
# Normalise u.
u[0, :] = u[0, :] / np.sqrt(normf(dx, u, 0))
# Set coefficients of CN scheme.
alpha = dt * -1j / (4 * np.power(dx, 2))
beta = dt * 1j / (4 * np.power(dx, 2))
# Tridiagonal matrices Al and AR. Al to be solved using Thomas algorithm.
Al = np.zeros([len(x), len(x)], dtype = 'complex_')
for i in range (0, M):
Al[i + 1, i] = alpha
Al[i, i] = 1 - (2 * alpha)
Al[i, i + 1] = alpha
# Corner elements for BC's.
Al[M, M], Al[0, 0] = 1 - alpha, 1 - alpha
Ar = np.zeros([len(x), len(x)], dtype = 'complex_')
for i in range (0, M):
Ar[i + 1, i] = beta
Ar[i, i] = 1 - (2 * beta)
Ar[i, i + 1] = beta
# Corner elements for BC's.
Ar[M, M], Ar[0, 0] = 1 - 2*beta, 1 - beta
# Thomas algorithm variables. Following similar naming as in Wiki article.
a = np.diag(Al, -1)
b = np.diag(Al)
c = np.diag(Al, 1)
NT = len(b)
cp = np.zeros(NT - 1, dtype = 'complex_')
for n in range(0, NT - 1):
if n == 0:
cp[n] = c[n] / b[n]
else:
cp[n] = c[n] / (b[n] - (a[n - 1] * cp[n - 1]))
d = np.zeros(NT, dtype = 'complex_')
dp = np.zeros(NT, dtype = 'complex_')
# Iterate over each time step to solve CN method. Maintain boundary
# conditions. Keep track of standard deviation.
for i in range(0, N):
# BC's.
u[i, 0], u[i, M] = 0, 0
# Find RHS.
d = np.dot(Ar, u[i, :])
for n in range(0, NT):
if n == 0:
dp[n] = d[n] / b[n]
else:
dp[n] = (d[n] - (a[n - 1] * dp[n - 1])) / (b[n] - (a[n - 1] * \
cp[n - 1]))
nc = NT - 1
while nc > -1:
if nc == NT - 1:
u[i + 1, nc] = dp[nc]
nc -= 1
else:
u[i + 1, nc] = dp[nc] - (cp[nc] * u[i + 1, nc + 1])
nc -= 1
norm[i] = normf(dx, u, i)
xexp[i] = xexpf(dx, x, u, i)
xexps[i] = xexpsf(dx, x, u, i)
sda[i] = sdaf(xexp, xexps, i)
# Fill in final norm value.
norm[N] = normf(dx, u, N)
# Fill in final position expectation value.
xexp[N] = xexpf(dx, x, u, N)
# Fill in final squared position expectation value.
xexps[N] = xexpsf(dx, x, u, N)
# Fill in final standard deviation value.
sda[N] = sdaf(xexp, xexps, N)

Perlin noise generator isn't working, doesn't look smooth

I watched some tutorials and tried to create a Perlin noise generator in python.
It takes in a tuple for the number of vectors in the x and y directions and a scale for the distance in pixels between the arrays, then calculates the dot product between each pixel and each of the 4 arrays surrounding it, It then interpolates them bilinearly to get the pixel's value.
here's the code:
from PIL import Image
import numpy as np
scale = 16
size = np.array([8, 8])
vectors = []
for i in range(size[0]):
for j in range(size[1]):
rand = np.random.rand() * 2 * np.pi
vectors.append(np.array([np.cos(rand), np.sin(rand)]))
interpolated_map = np.zeros(size * scale)
def interpolate(x1, x2, w):
t = (w % scale) / scale
return (x2 - x1) * t + x1
def dot_product(a, b):
return a[0] * b[0] + a[1] * b[1]
for i in range(size[1] * scale):
for j in range(size[0] * scale):
dot_products = []
for m in range(4):
corner_vector_x = round(i / scale) + (m % 2)
corner_vector_y = round(j / scale) + int(m / 2)
x = i - corner_vector_x * scale
y = j - corner_vector_y * scale
if corner_vector_x >= size[0]:
corner_vector_x = 0
if corner_vector_y >= size[1]:
corner_vector_y = 0
corner_vector = vectors[corner_vector_x + corner_vector_y * (size[0])]
distance_vector = np.array([x, y])
dot_products.append(dot_product(corner_vector, distance_vector))
x1 = interpolate(dot_products[0], dot_products[1], i)
x2 = interpolate(dot_products[2], dot_products[3], i)
interpolated_map[i][j] = (interpolate(x1, x2, j) / 2 + 1) * 255
img = Image.fromarray(interpolated_map)
img.show()
I'm getting this image:
but I should be getting this:
I don't know what's going wrong, I've tried watching multiple different tutorials, reading a bunch of different articles, but the result is always the same.

How to implement 3D bilinear interpolation using numpy?

I have reached to this bilinear interpolation code (added here), but I would like to improve this code to 3D, meaning update it to work with an RGB image (3D, instead of only 2D).
If you have any suggestions of how I can to that I would love to know.
This was the one dimension linear interpolation:
import math
def linear1D_resize(in_array, size):
"""
`in_array` is the input array.
`size` is the desired size.
"""
ratio = (len(in_array) - 1) / (size - 1)
out_array = []
for i in range(size):
low = math.floor(ratio * i)
high = math.ceil(ratio * i)
weight = ratio * i - low
a = in_array[low]
b = in_array[high]
out_array.append(a * (1 - weight) + b * weight)
return out_array
And this for the 2D:
import math
def bilinear_resize(image, height, width):
"""
`image` is a 2-D numpy array
`height` and `width` are the desired spatial dimension of the new 2-D array.
"""
img_height, img_width = image.shape[:2]
resized = np.empty([height, width])
x_ratio = float(img_width - 1) / (width - 1) if width > 1 else 0
y_ratio = float(img_height - 1) / (height - 1) if height > 1 else 0
for i in range(height):
for j in range(width):
x_l, y_l = math.floor(x_ratio * j), math.floor(y_ratio * i)
x_h, y_h = math.ceil(x_ratio * j), math.ceil(y_ratio * i)
x_weight = (x_ratio * j) - x_l
y_weight = (y_ratio * i) - y_l
a = image[y_l, x_l]
b = image[y_l, x_h]
c = image[y_h, x_l]
d = image[y_h, x_h]
pixel = a * (1 - x_weight) * (1 - y_weight) + b * x_weight * (1 - y_weight) + c * y_weight * (1 - x_weight) + d * x_weight * y_weight
resized[i][j] = pixel # pixel is the scalar with the value comptued by the interpolation
return resized

Check out some of the scipy ndimage interpolate functions. They will do what you're looking for and are 'using numpy'.
They are also very functional, fast and have been tested many times.
Richard

How can I speed up the compositing raycasting function?

I'm currently working on a volume rendering project in python where I use a compositing ray casting function to produce an image, given a 3D volume consisting of voxels. The function (which I show below) works correctly, but has a very long runtime. Do you guys have tips on how to make this function faster? The code is Python 3.6.8 and uses various numpy arrays.
def render_compositing(self, view_matrix: np.ndarray, volume: Volume, image_size: int, image: np.ndarray):
# Clear the image
self.clear_image()
# U, V, View vectors. See documentation in parent's class
u_vector = view_matrix[0:3]
v_vector = view_matrix[4:7]
view_vector = view_matrix[8:11]
# Center of the image. Image is squared
image_center = image_size / 2
# Center of the volume (3-dimensional)
volume_center = [volume.dim_x / 2, volume.dim_y / 2, volume.dim_z / 2]
# Define a step size to make the loop faster
step = 2 if self.interactive_mode else 1
for i in range(0, image_size, step):
for j in range(0, image_size, step):
sum_color = TFColor(0, 0, 0, 0)
for k in range(0, image_size, step):
# Get the voxel coordinate X
voxel_coordinate_x = u_vector[0] * (i - image_center) + v_vector[0] * (j - image_center) + \
view_vector[0] * (k - image_center) + volume_center[0]
# Get the voxel coordinate Y
voxel_coordinate_y = u_vector[1] * (i - image_center) + v_vector[1] * (j - image_center) + \
view_vector[1] * (k - image_center) + volume_center[1]
# Get the voxel coordinate Y
voxel_coordinate_z = u_vector[2] * (i - image_center) + v_vector[2] * (j - image_center) + \
view_vector[2] * (k - image_center) + volume_center[2]
color = self.tfunc.get_color(
get_voxel(volume, voxel_coordinate_x, voxel_coordinate_y, voxel_coordinate_z))
sum_color.r = color.a * color.r + (1 - color.a) * sum_color.r
sum_color.g = color.a * color.g + (1 - color.a) * sum_color.g
sum_color.b = color.a * color.b + (1 - color.a) * sum_color.b
sum_color.a = color.a + (1 - color.a) * sum_color.a
red = sum_color.r
green = sum_color.g
blue = sum_color.b
alpha = sum_color.a
# Compute the color value (0...255)
red = math.floor(red * 255) if red < 255 else 255
green = math.floor(green * 255) if green < 255 else 255
blue = math.floor(blue * 255) if blue < 255 else 255
alpha = math.floor(alpha * 255) if alpha < 255 else 255
# Assign color to the pixel i, j
image[(j * image_size + i) * 4] = red
image[(j * image_size + i) * 4 + 1] = green
image[(j * image_size + i) * 4 + 2] = blue
image[(j * image_size + i) * 4 + 3] = alpha

I don't understand why you want to use python for this code. Isn't using a shader the better approach if you are concerned about speed?
Anyways here are few things that can be done in the current code.
voxel coordinates can be calculated using a numpy. you can make a 3 channel 2d image and compute the x,y,z coordinates for an entire slice(k) in a single shot.
Above step can be further optimized by storing an image of x,y,z coordinated of first slice(k=0) and a constant view_directionstep (step_size). Now every other slice can be simply calculated by (XYZ#k=0) + kstep_size.
Use early ray termination by thresholding alpha value to 0.999 or 0.99. This does not look like much but gives a lot of speed gain.

Norm of moving window submatrix

I try to create a function for performing a convolution between a matrix and a filter. I managed to do the basic operations, but I stumbled on calculating the norm of the sliced matrix (the submatrix of the main matrix), corresponding to each position in the output.
The code is this:
def convol2d(matrix, kernel):
# matrix - input matrix indexed (v, w)
# kernel - filtre indexed (s, t),
# h -output indexed (x, y),
# The output size is calculated by adding smid, tmid to each side of the dimensions of the input image.
norm_filter = np.linalg.norm(kernel) # The norm of the filter
vmax = matrix.shape[0]
wmax = matrix.shape[1]
smax = kernel.shape[0]
tmax = kernel.shape[1]
smid = smax // 2
tmid = tmax // 2
xmax = vmax + 2 * smid
ymax = wmax + 2 * tmid
window_list = [] # Initialized an empty list for storing the submatrix
print vmax
print xmax
h = np.zeros([xmax, ymax], dtype=np.float)
for x in range(xmax):
for y in range(ymax):
s_from = max(smid - x, -smid)
s_to = min((xmax - x) - smid, smid + 1)
t_from = max(tmid - y, -tmid)
t_to = min((ymax - y) - tmid, tmid + 1)
value = 0
for s in range(s_from, s_to):
for t in range(t_from, t_to):
v = x - smid + s
w = y - tmid + t
print matrix[v, w]
value += kernel[smid - s, tmid - t] * matrix[v, w]
# This does not work
window_list.append(matrix[v,w])
norm_window = np.linalg.norm(window_list)
h[x, y] = value / norm_filter * norm_window
return h
For example, my input matrix is A(v, w), I want that my output values in the output matrix h (x,y), be calculated as:
h(x,y) = value/ (norm_of_filer * norm_of_sumbatrix)
Thanks for any help!
Edit: Following the suggestions, I modified like this:
I modified like this, but I only get the first row appended, and used in calculation and not the entire submatrix.
`for s in range(s_from, s_to):
for t in range(t_from, t_to):
v = x - smid + s
w = y - tmid + t
value += kernel[smid - s, tmid - t] * matrix[v, w]
window_list.append(matrix[v,w])
window_array = np.asarray(window_list, dtype=float)
window_list = []
norm_window = np.linalg.norm(window_array)
h[x, y] = value / norm_filter * norm_window`

The input of np.linalg.norm is supposed to be an "Input array." Try converting the list of matrices to an array. (python: list of matrices to numpy array?)
Also, maybe move the norm_window line out of the loop, since you only later use it as evaluated at the last step, with everything in it. In fact, wait 'til the loop is done, convert the finished list to an array (so it's only done once) and evaluate norm_window on that.