Pinned Repositories
ArgonMD
simple implementation of a MD simulation of Argon using velocity Verlet and minimum image convention.
bendy-board
A project for university
cclib
Parsers and algorithms for computational chemistry logfiles
FreeWilly
Willy is an electron of course. The programme is built on top of libmesh and is intended to solve the one-particle Schroedinger equation for an arbitrary potential. Later, maybe further capabilities will be added.
hangtux
a python- and shell-written hangman-game.
inverseIteration
python-implementation of 'inverse iteration', a algorithm to calculate/enhance several eigenvectors
libcint
general GTO integrals for quantum chemistry
NWC2Dy
python-script to convert output-data of NWchem to an input-file required by other programme
PotWell
Repository for testing infinite elements and related features, tools etc.
VispeR
a python-script to calculate the spectrum using a frequency-calculation of g09
BalticPinguin's Repositories
BalticPinguin/ArgonMD
simple implementation of a MD simulation of Argon using velocity Verlet and minimum image convention.
BalticPinguin/NWC2Dy
python-script to convert output-data of NWchem to an input-file required by other programme
BalticPinguin/VispeR
a python-script to calculate the spectrum using a frequency-calculation of g09
BalticPinguin/bendy-board
A project for university
BalticPinguin/cclib
Parsers and algorithms for computational chemistry logfiles
BalticPinguin/FreeWilly
Willy is an electron of course. The programme is built on top of libmesh and is intended to solve the one-particle Schroedinger equation for an arbitrary potential. Later, maybe further capabilities will be added.
BalticPinguin/hangtux
a python- and shell-written hangman-game.
BalticPinguin/inverseIteration
python-implementation of 'inverse iteration', a algorithm to calculate/enhance several eigenvectors
BalticPinguin/libcint
general GTO integrals for quantum chemistry
BalticPinguin/PotWell
Repository for testing infinite elements and related features, tools etc.
BalticPinguin/libmesh
libMesh github repository
BalticPinguin/MasterThesis
Evolution of my thesis. This is meant for private use only
BalticPinguin/Prey-Predator-System
a C++-implementation of gillespie-algorithm for a prey-predator-model
BalticPinguin/TIMPI
Templated Interface to MPI