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gougoudata's Projects

apt-cyg icon apt-cyg

Apt-cyg, an apt-get like tool for Cygwin

apt-cyg-1 icon apt-cyg-1

A command-line software installer for Cygwin

ase-ddec-jasp icon ase-ddec-jasp

Package that connects density derived electronic charges (DDEC) with VASP calculations to be used in atomic simulation environment (ASE)

ase_tools icon ase_tools

Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.

ase_vasp_bandstructure icon ase_vasp_bandstructure

Python script incoporating ASE libraries. Take an initial crystal structure and perform the steps outilined in http://cms.mpi.univie.ac.at/wiki/index.php/Si_bandstructure to get a band plot.

auto-install-cygwin icon auto-install-cygwin

A windows batch file that installs cygwin but uses your customization files from a Dropbox folder.

chg-matlab icon chg-matlab

Scripts to process CHGCAR files output from VASP

cif2vasp icon cif2vasp

Converts (most) CIF files to VASP's POSCAR format

cygwin icon cygwin

The cygwin git for fuse-cygwin development

cygwin-1 icon cygwin-1

Green install to `C:\cygwin\`. Work with eCos `https://github.com/flyskywhy/ecos.git -b microblaze` and native toolchain.

cygwinhere icon cygwinhere

Registry edit to allow opening of Cygwin by right clicking.

dft-book icon dft-book

A book on modeling materials using VASP, ase and jasp

fireworks-vasp icon fireworks-vasp

Vasp plugin for fireworks utilizing Fireworks, Custodian and Pymatgen for running High-throughput VASP calculations

lev00 icon lev00

L. N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.

materials_simulation_tools icon materials_simulation_tools

Some basic scripts for data extraction and managing/creating sets of input files. Data extraction scripts are useful for GULP, VASP and CASCADE

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