maxlevesque/workflowGimp
My workflow to efficiently edit pictures
Discovered public repositories for maxlevesque in the GitHub catalog.
My workflow to efficiently edit pictures
pour garder trace. 24/02/2014
Where I compare the time due to various orders of loops index in Fortran
Computes the not-diagonal stress correlation function from output files of PIMAIM (xyxzyzstress.out and xxyyzzstress.out)
My workflow to efficiently generate initial configurations for molecular dynamics or Monte Carlos simulations
Computes the autocorrelation of a 3 dimensional vector (like a velocity or a force)
Computes the velocity auto-correlation function from a trajectory, with Mathematica
Computes the mean square displacement of a trajectory
Computes the electrical conductivity from Molecular dynamics simulations with PIMAIM
Computes the diffusion coefficient of all species from PIMAIM positions.out
Computes cage correlation functions with Mathematica
clearclear is a bash script that really clears the terminal by echoing 30 blank lines
jolify, a Fortran code prettifier
For the paper about large-scale hydrophobicity in the molecular density function theory framework.
Presentation for the EVOL meeting, 28th of June 2013, in Grenoble, France
Extract projected or total electronic density of states as calculated and written by VASP in DOSCAR file.
Public repository.
The Born Model
Thoughts about the chemical potential in the homogeneous reference fluid in classical density functional theory
Translates the coordinates given in output by PIMAIM into a file formatted as XSF
My author webpage
Help during the creation of a pimaim input file runtime.inpt
Public repository.
Generator of a supercell for PIMAIM. Creates the file restart.dat.
Fluid dynamics for chemical applications
Mathematica Notebook that automates PIMAIM analysis of output files