amritagos Goto Github PK
Name: Amrita Goswami
Type: User
Bio: I'm a postdoc at UI, with a PhD in Chemical Engineering from IIT Kanpur. I work on structure determination, ice nucleation & scientific code development
Location: University of Iceland
Amrita Goswami's Projects
agspackrepos
A bunch of spack customized repositories
amcos_booklet
LaTeX template for scientific conference booklet, or book of abstracts
continous_distillation-uop_iitk
TA Notes
cpp_experiments
Cute little experiments
cv
A short curriculum vitae
dotfiles
Dotfiles with dotgit, zsh, emacs, vim and bspwm for mouseless work.
epyc
Python computational experiment management
lammps
Public development project of the LAMMPS MD software package
nixpkgs
Nix Packages collection
pdf_cpplib
A C++ library which implements various probability distribution functions
pylat
solutionanalysis
solvis
Various ways to analyze and visualize solvation shells, and atomic systems. Meant primarily for analyzing the outputs produced by LAMMPS, but would work with most things compatible with ASE.
structurefactorfreud
Simple Python codes for calculating the structure factor (and 3-D RDF) from lammps trajectory files, using the package freud
taurenmd
A command-line interface for analysis of Molecular Dynamics simulations.
transport-prop
Transport property calculations from molecular simulations.
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