maxlevesque Goto Github PK

ab-init-installation

pour garder trace. 24/02/2014

autocorrelation

Computes the autocorrelation of a 3 dimensional vector (like a velocity or a force)

cfiles

Analysis tools using chemfiles

chemfiles

Modern library for chemistry file reading and writing

chemical_potential_in_dfthrf

Thoughts about the chemical potential in the homogeneous reference fluid in classical density functional theory

clearclear

clearclear is a bash script that really clears the terminal by echoing 30 blank lines

coronavirus_structural_task_force

Repository for the molecular structures related with Corona virusses and their re-processing

cv

my curriculum vitae, to keep a track for my next CRAC

dmoz-fortran-archive

an unofficial of DMOZ Fortran archive

dynamol-2016

lecture at Dynamol 2016 - dynamique moléculaire des systèmes biologiques

easy-code-profiling

How to profile scientific codes easily.

elsatestgit

testsetset

example-use-fftw3

Some tests of FFTW 3

fundingofscience

Where I put everything related to funding of science, with dead lines, URL to information sources, etc.

gromacs-md-of-simple-lennard-jones-fluid

A short tutorial on where to start if you want to use gromacs to produce dynamics of a simple lennard jones fluid

gromacs_examples

Examples showing how to run GROMACS molecular dynamics simulations

hankel-transform

This program computes the numerical Fourier transform of a spherically symetric function in 3-dimensions, often called the Hankel transform.

howto-figures

Recommandations (made to evolve) for producing figures

importanceofindexorderformemoryinfortran

Where I compare the time due to various orders of loops index in Fortran

jacs-dataset-analysis

Re-analysis of the Schrödinger JACS dataset

jburkardt-f77

An official Git Mirror of John Burkardt's great collection of FORTRAN 77 Software

jolify

jolify, a Fortran code prettifier

journeeliquide

laboetie

Fluid dynamics for chemical applications

lasvegas

Monte Carlo simulations for rigid molecules

list_all_valid_3j_symbols

This program lists all non-zero Wigner's 3j symbols

maxlevesque.github.io

My author webpage

mdft_coulomb_solvers

Coulomb solver for the Molecular Density Functional Theory code, MDFT

meansquareddisplacement

Computes the mean square displacement of a trajectory

mmcagecf

Computes cage correlation functions with Mathematica