do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
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Updated
Jun 8, 2024 - Python
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Simple calculator on Python
Obara-Saika molecular integral code sandbox.
A calculator for definite and indefinite integrals.
A Python program for numerical integration using Romberg Quadratures and trapezoidal sums.
Response Calculation (Spectral Equations) and Electronic Integrals
Contains sample implementations in python of the following numerical methods: Euler's Method, Midpoint Euler's Method, Runge Kuttta Method of Order 4, and Composite Simpson's Rule
🧉 Tópicos de matemática básica, cobrindo desde a matemática elementar até toda a matemática do ensino médio, com o adicional de estatística básica, limites e cálculo. Possui exemplos e aplicações em Python.
Tools for evaluating molecular integrals in Python.
Generate n-Dimensional gaussian quadrature points.
Numerical methods course with plots
Projeto de física criado com o objetivo de uma apresentação didática com Manim sobre uma das descobertas de Isaac Newton: o cálculo.
This repo contains recipes for solving computational math problems using Python
Some Operations Research Tools in python
Calculator to solve definite and indefinite integrals.
Projeto da Matéria Cálculo I - UFFS.
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