wavefunction | Python package for calculating wavefunctions | Dataset library

by jrjohansson Python Version: Current License: No License

X-Ray Key Features Code Snippets(1)Community Discussions(10)Vulnerabilities Install Support

kandi X-RAY | wavefunction Summary

wavefunction is a Python library typically used in Artificial Intelligence, Dataset applications. wavefunction has no bugs, it has no vulnerabilities, it has build file available and it has low support. You can download it from GitHub.

Python package for calculating wavefunctions for 1D and 2D potentials.

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wavefunction has a low active ecosystem.

It has 68 star(s) with 24 fork(s). There are 10 watchers for this library.

It had no major release in the last 6 months.

wavefunction has no issues reported. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of wavefunction is current.

Quality

wavefunction has 0 bugs and 0 code smells.

Security

wavefunction has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

wavefunction code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

wavefunction does not have a standard license declared.

Check the repository for any license declaration and review the terms closely.

Without a license, all rights are reserved, and you cannot use the library in your applications.

Reuse

wavefunction releases are not available. You will need to build from source code and install.

Build file is available. You can build the component from source.

Top functions reviewed by kandi - BETA

kandi has reviewed wavefunction and discovered the below as its top functions. This is intended to give you an instant insight into wavefunction implemented functionality, and help decide if they suit your requirements.

Assemble two basis vectors
Convert a given index to a matrix
Compute the index of m2v
Generate the symmetric matrix
R Return whether n is modulo n
Assemble the Jacobian matrix
Return the delta between a and b
Convert a 2x3 matrix to a square matrix
Index_v2m
Compute the wavefunction normalize of the wavefunction
Compute the wavefunction norm
Write version
Evaluate the basis function for a basis function
Convert a 2x3 matrix to a 2x3 matrix

Get all kandi verified functions for this library.

wavefunction Key Features

No Key Features are available at this moment for wavefunction.

wavefunction Examples and Code Snippets

compute the recurrence of the wavefunction

python

Lines of Code : 6

License : No License

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def recurrence(self, x_t, h_t1):
        r = T.nnet.sigmoid(x_t.dot(self.Wxr) + h_t1.dot(self.Whr) + self.br)
        z = T.nnet.sigmoid(x_t.dot(self.Wxz) + h_t1.dot(self.Whz) + self.bz)
        hhat = self.f(x_t.dot(self.Wxh) + (r * h_t1).dot(self.W

Community Discussions

Trending Discussions on wavefunction

How do I get the imaginary part (or real part) of an array in Python?

Function diverging at boundaries: Schrödinger 2D, explicit method

How do I tell sympy that i^2 = -1?

Animated interactive vibrating string using python

How to create an animation with a filled 'span?

How to numerically normalize the wave function of the Schroedinger Equation?

numpy noisy sin wave, with custom amplitude and frequency

How to call a program by using a shell script?

How can I estimate the first derivative of an evaluated univariate function in C++?

Plotting Wavefunction: TypeError: Only Size-1 Arrays Can be Converted to Python Scalars

QUESTION

How do I get the imaginary part (or real part) of an array in Python?

Asked 2022-Mar-12 at 14:23

I have trouble with my N qubit wavefunction. I try to prepare a state psi = a|0> + b*exp(2i\pi\theta)|1>, and I wanted to check if the values for b*exp(2i\pi\theta) were well distributed.

Here is how I got my wavefunction :

...

ANSWER

Answered 2022-Mar-10 at 08:53

You need to make the output array psi "complex aware". An easy way is to fill it with complex values instead of None objects:

Source https://stackoverflow.com/questions/71421057

QUESTION

Function diverging at boundaries: Schrödinger 2D, explicit method

Asked 2022-Jan-01 at 20:29

I'm trying to simulate the 2D Schrödinger equation using the explicit algorithm proposed by Askar and Cakmak (1977). I define a 100x100 grid with a complex function u+iv, null at the boundaries. The problem is, after just a few iterations the absolute value of the complex function explodes near the boundaries.

I post here the code so, if interested, you can check it:

...

ANSWER

Answered 2022-Jan-01 at 18:58

I'd try setting your dt to a smaller value (e.g. 0.001) and increase the number of integration steps (e.g fivefold). The wavefunction looks in shape also at Ntsteps=150 and well beyond when trying out your code with dt=0.001.

Checking integrals of the motion (e.g. kinetic energy here?) should also confirm that things are going OK (or not) for different choices of dt.

Source https://stackoverflow.com/questions/70549329

QUESTION

How do I tell sympy that i^2 = -1?

Asked 2021-May-19 at 05:49

I'm currently using sympy to check my algebra on some nasty equations involving second order derivatives and complex numbers.

...

ANSWER

Answered 2021-May-19 at 05:49

You need to use the SymPy built-ins, rather than treating those symbols as free variables. In particular:

Source https://stackoverflow.com/questions/67597563

QUESTION

Animated interactive vibrating string using python

Asked 2021-Apr-05 at 06:57

I would like to plot an animated vibrating string using python but to be able to play it and to control the parameters used during the vibration (much like this Desmos calculation). So far, this is my code:

...

ANSWER

Answered 2021-Mar-30 at 23:47

Take a look at the gif python package. I have only used it for simple gif saves. But it can be integrated with plotly or Altair, which may give better interactions.

Source https://stackoverflow.com/questions/66820277

QUESTION

How to create an animation with a filled 'span?

Asked 2021-Feb-21 at 22:45

I've created an animated plot of a wavefunction, psi:

...

ANSWER

Answered 2021-Feb-20 at 22:07

In your current code, a new axvspan() is continually added, never removed. You could explicitly remove the old span inside animate(). Or, similarly to what happens to the lines, update the position. A span is internally represented as a polygon, of which the coordinates can be set via .set_xy().

The function psi in the post doesn't seem to be the same as the function that generated the example plots. This also made that I couldn't get to work to calculate the spline and the roots. I replaced them by some simpler positions to show how the span can be updated during the animation.

The code also adds explicit x and y limits, as they weren't set in the question's code.

Source https://stackoverflow.com/questions/66296210

QUESTION

How to numerically normalize the wave function of the Schroedinger Equation?

Asked 2021-Jan-07 at 18:25

I implemented the Shooting Method to numerically solve the 1D stationary Schroedinger Equation for the infinite potential pot with walls located at 0 and 1. Now I want my numerical solution for the wavefunction psi(x) to be normalized. This means that the integral from 0 to 1 of the probability of residence density rho(x)= |psi(x)|^2 has to equal 1, since there is a 100 percent chance to find the particle within the interval 0 to 1. So I have the normalization condition int(0,1) rho(x) dx = 1. I tried to implement a normalization function using the numeric integration simpson rule, but it doesn't work appropriately for higher energy states. Has anyone got an idea how to improve?

So I have psi(x) and x as numpy arrays.

...

ANSWER

Answered 2021-Jan-07 at 18:25

It looks like you're normalizing the integral of the (complex) wavefunction, when you should be normalizing its probability density:

Source https://stackoverflow.com/questions/65612454

QUESTION

numpy noisy sin wave, with custom amplitude and frequency

Asked 2020-Nov-15 at 08:37

I was following the following post: Produce random wavefunction

The first answer is close to what I need, but I can't modify it properly. Specfically I need an amplitude of 100, and 5 periods over the 1000 that are being displayed.

...

ANSWER

Answered 2020-Nov-15 at 08:23

Is this what you are looking for? Note the 2*pi (rad!):

Source https://stackoverflow.com/questions/64842322

QUESTION

How to call a program by using a shell script?

Asked 2020-Sep-05 at 20:29

I want to execute the VASPKIT program by using a shell script.

In the terminal, I can call the program by typing 'vaspkit'

...

ANSWER

Answered 2020-Sep-05 at 18:54

Text in a script is interpreted as if it's commands, not as keyboard input. So, it will require automating the input somehow. One simple way is using a here-string:

Source https://stackoverflow.com/questions/63752092

QUESTION

How can I estimate the first derivative of an evaluated univariate function in C++?

Asked 2020-Jul-27 at 13:18

I have a two vectors:

Coordinates along an axis, x;
An evaluation of a function on those coordinates, f(x).

and I want to compute an estimate of the first derivative of f at these coordinates.

The function is a descriptor of a wavefunction and x is the dihedral angle.

Because the result vector must have the same length as the two existing vectors, I cannot use a manual implementation based on Newton's difference quotient.

In Python, I can obtain such an estimate using the scipy library:

...

ANSWER

Answered 2020-Jul-27 at 13:18

I'd start with pchip.

Example:

Source https://stackoverflow.com/questions/62991118

QUESTION

Plotting Wavefunction: TypeError: Only Size-1 Arrays Can be Converted to Python Scalars

Asked 2020-Apr-21 at 11:20

I'm want to compute the wavefunction of an electron. Therefore I wrote the following code:

...

ANSWER

Answered 2020-Apr-21 at 11:20

You were close: np.vectorize takes a function as an argument. Hence the correct code is:

Source https://stackoverflow.com/questions/61342168

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install wavefunction

You can download it from GitHub.
You can use wavefunction like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

Support

For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .

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