Pinned Repositories
aml
A... M... L...
AtomicPolarTensor
carmm
Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
cavity-md-ipi
Cavity molecular dynamics simulations for vibrational strong and ultrastrong coupling, including code implementation, job submission, data post-processing and plotting.
exciton1d
Repository containing program to calculate the absorption spectrum and band dispersion of 1D aggregates.
fortran-skeleton
g_spec
hello-world
i-pi
i-PI: a universal force engine
VoronoiSelection
litman90's Repositories
litman90/VoronoiSelection
litman90/aml
A... M... L...
litman90/AtomicPolarTensor
litman90/carmm
Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
litman90/cavity-md-ipi
Cavity molecular dynamics simulations for vibrational strong and ultrastrong coupling, including code implementation, job submission, data post-processing and plotting.
litman90/exciton1d
Repository containing program to calculate the absorption spectrum and band dispersion of 1D aggregates.
litman90/fortran-skeleton
litman90/i-pi
i-PI: a universal force engine
litman90/i-pi-dev
Development version of i-PI
litman90/LIRPD
A flexible method for simulating TERS images from locally integrated Raman polarizability densities
litman90/MAVARIC
MAVARIC is a C++ program used to compute Mapping Variable Ring Polymer Molecular Dynamics correlation functions.
litman90/MBX
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
litman90/MMTK
The Molecular Modelling Toolkit
litman90/Monodromy
litman90/n2p2
n2p2 - A Neural Network Potential Package
litman90/NISE_2017
This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
litman90/PDFs-TextExtract
Multiple and Large PDF Documents Text Extraction.
litman90/PiNN
A Python library for building atomic neural networks
litman90/PyLAT
litman90/revelsmd
Revels MD is a developmental code for calculating structural quantities from atomistic simulations with reduced variance
litman90/sandbox
litman90/SC-IVR-Code-Package
The SC-Corr Code Package is a FORTRAN-based program that contains various ways of computing the real-time correlation function under the semiclassical initial value representation.
litman90/SCFNN
litman90/SRNN
Symplectic Recurrent Neural Networks
litman90/tools-and-data
A collection of tools and databases for atomistic machine learning
litman90/Water_pKw
litman90/webpage
litman90/Webpage-aux
This is the repository for my personal website
litman90/website
litman90/website-old