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abaqus_scripting

Sample tutorial for Abaqus scripting

aloh

re active MD for AlOH

cascade_md

Cascade simulation code using molecular dynamics

check_temp

A Nagios plugin to check temperaturs with lm_sensors

class

Collection of online classes

classification

Sample code motivated by the work of Agnes. Using Keras, TF, Horovod, and openmpi

ctip_mc

Monte-Carlo simulations using Charge Transfer Ionic Potential and particle swapping

dft_workshop

Workshop materials for writing a DFT code from scratch

efg

Element Free Galerkin method

hpjeongit

Config files for my GitHub profile.

md-fem

Multiscale analysis using MD and FEM coupling

md_polling

Molecular dynamics code using MPI polling

md_thiol

Coarse-grained simulations of alkane-thiols using head-group empirical potential

md_workshop

Workshop materials for writing a MD code from scratch

nagios-plugins

Monitoring Plugins

nonlinear_solver

Sample/example of nonlinear solvers for flow in porous media

openacc

Sample codes for OpenACC implementation

parser

Collection of flex, bison, antlr4

practicejenkins

Some pratice using Jenkins

preconditioner

prediction_modeling

Collections of prediction modeling and methods

pwpp

Plane Wave basis DFT using GTH PseudoPotential

python_script

Collection of short python scripts

r_mpi

Examples of parallelized R code

simox

Oxide simulation code using charge transfer ionic potential

solve_ax_b

Sample CMake template solving Ax=b

sph

Axi-symmetric smoothed particle hydrodynamics code by Fortran

stress_calc_md

Heinz stress calculation from MD - Fortran VTK writing routine

tcp_allpair

Two component plasma code using all pair-wise interactions

tips

Some examples for various purposes