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rzk1 Follow

Overview Repositories 7 Projects 0 Packages 0 Stars 0

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rzk1

rzk1

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Overview Repositories 7 Projects 0 Packages 0 Stars 0

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All Fortran TeX Python Mathematica

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dbcsr Public
Forked from cp2k/dbcsr

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran GNU General Public License v2.0 Updated Dec 17, 2021
ullmann Public

Ullmann coupling reaction

TeX Updated Nov 6, 2021
cp2k Public
Forked from cp2k/cp2k

Quantum chemistry and solid state physics software package

Fortran 1 GNU General Public License v2.0 Updated Jun 15, 2021
heterojunction Public

Create surfaces and heterojunctions from two crystal structures

Python 3 Updated Nov 27, 2020
Carbene Public

Methanol decomposition on GaN surface

Mathematica Updated Jul 23, 2019
selector Public

feature selection algorithm

TeX Updated Dec 13, 2018
clusters Public

Extract clusters (atomic, molecular) from periodic systems

Python Updated Sep 9, 2016

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heterojunction Public

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selector Public

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clusters Public

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