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riemannian_latent_space

Riemannian metrics to measure distances in latent space of VAEs

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

rods_bending

Mathematica package to calculate the shape of thin flexible elastic rod under load.

rspt2spectra

Interface from the RSPt software to the impurityModel spectra repository

rtni

rungekutta

Basic implementation of the class type of 4th order Runge Kutta method for ODE's

rydberg

Code for calculations based on Rydberg states of atoms

rydberg-atoms

Test with github, code python for dipole interaction

sbf

Comparison of algorithms for computing spherical Bessel functions.

scdm

Code for the Selected Columns of the Density Matrix suite of algorithms

scf_szabo

This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A. Szabo and N. Ostlund. I have included a built executable "scf_basic_version_1_0" and an output file called "out" which lists the results. Run the command "make" to build this. Note that this software is not designed to be either efficient in terms of performance or in terms of coding. It is designed as a bit of fun to convert the original Fortran IV code into something a bit more modern - C and also to demonstrate the key principles of the SCF routine when calculating the HeH+ molecule. Limited to STO-nG (n=1, 2 or 3) series basis set and 2 atoms only.

schrodinger-dtbc

:rocket: Solve the time-dependent Schrodinger equation in unbounded domain

schrodinger-equation-complex-pde-solver

Schrodinger Equation Complex PDE Solver

schrodingers-snake

Quantum physics exercises in Python via Jupyter Notebooks

schrodingerwellpython

2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well

scientific-computing-with-mathematica

Notebooks for my scientific computing course developed during my work at Wolfram Research

scqubits

Superconducting Qubits in Python

sde-higham

Some basic algorithms for stochastic differential equations in Python/NumPy

sde_solve

Tiny repo containing useful functions for numerical integration of stochastic differential equations. I type out equations from Kloeden/Platen so you don't have to.

sdeint

Numerical integration of Ito or Stratonovich SDEs

sdetools

A Python 3 library to estimate and simulate Stochastic Differential Equations

sdp2_non_markov

SDPs to detect quantum memory in a 2 step non Markovian process.

second-harmonic-generation

The official repository for my master thesis in physics

second-quantization-script-using-sympy

A script using operator permutation to achieve "normal ordering", even for general index.

secondquantizationalgebra

Software package to handle the many-fermionic operator

seculab

Solves secular equations of motion with various additional effects

seemps

Self-explaining Matrix Product States library in Python

seeq

See Quantum - Self-explanatory library for Quantum Optics and Quantum Mechanics

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

semiclassical-namd

Semiclassical code for quantum dynamics