Index

A

ABINIT Armadillo

ASE Atom

B

backups bash Bazel

BerkeleyGW bioinformatics BoltzTraP Boost C++ Libraries

C

calculations CASTEP cffi python cluster VNC Xfce tips backups filesystem job submission mount IC and RDS home directories news printing remote access security setup ssh

CMTH PyML Stack CMTH SciPy Stack compilers COMSOL copying files Cube cython

D

datamash Debian workstation image dictionaries

diff tools document viewers Dropbox DynaPhoPy

E

editors electronic structure

email Exchange-correlational functionals

F

FDTD FFTW filesystem common home workspace

finite element finite-difference time-domain fonts foreign lanaguages

G

gcalcli GCC suite git Gnuplot go GPAW graph-tool

graphics grive2 GSL GUI development libraries guile libctl GULP

H

h5py H5utils HANDE

harminv harmonic inversion hdf5

I

IDEs Intel suite

IPython ispc isync

J

JabRef jdftx

Jmol Julia

K

keepassxc

L

LAMMPS Lanczos TRLan languages LAPACK LaTeX libctl

libint libxc LLVM llvmlite lua luajit Lumerical LyX

M

managing scientific data, [1] Material Science material science Mathematica maths libraries programs MATLAB Matplotlib

Meep Mendeley MIT Photonic-Bands MKL modules Molecular Dynamics MOLGW MPICH msmtp multimedia

N

NetworkX notmuch Numba

NumPy numpydoc NWChem

O

Octopus office software

Open MPI OpenChemistry OVITO

P

pandas ParaView pCloud pdf readers pep8 phono3py phonon calculations, [1], [2] phonopy photonics powerlaw printing Profiling Scalasca

profiling tools programming languages libraries tools pylint pypy Python python packages pypy PythTB

Q

Quantum ESPRESSO quantum mechanics

QUIP QuTiP

R

rednotebook remote access programs web

RSS readers

S

ScaLAPACK Scalasca SciPy Score-P scrapy scripting Shapely shells

SIESTA Skype slurm spglib Sphinx ssh netcat mode SuiteSparse synergy

T

terminal emulators terminal multiplexers text editors

Thermo-Calc thermodynamics tig TRLan

U

utilities

V

V_Sim VASP version control

VESTA Veusz visualisation VMD

W

Wannier90 web browsers

webserver window managers Windows

X

x2go	XCrySDen XMind8

Z

Zotero