miroi Goto Github PK

followers: 6.0 following: 3.0 repos: 49.0 gists: 0.0

Name: Miro Iliaš

Type: User

Location: Banska Bystrica, Slovakia

Blog: https://www.facebook.com/miro.ilias

Miro Iliaš's Projects

aquarius

Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. Aquarius is primarily focused on iterative methods such as CC, CI, and EOMCC.

autocmake

CMake plugin composer.

avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

awesome-fortran

Awesome list of Fortran libs

bagel

Brilliantly Advanced General Electronic-structure Library

bagel_manual

BAGEL's Users Manual

blender_testing

Tests of Blender open-software.

demo-sphinx-extensions-for-dirac

Test sphinx-extensions for the DIRAC documentation

docker_repo

Repository with Dockerfile for DIRAC buildups.

excel2latex

The Excel add-in for creating LaTeX tables

ford

Automatically generates FORtran Documentation from comments within the code.

fortran-collections

Got tired of Fortran not having high level containers.

fortran90_timer

Measure elapsed wall time in Fortran90 codes.

fortran_input_reader

Fortran reader of input data from text files

gpu_cpu_math_comparison

Comparison of some GPU and CPU mathematical routines from BLAS and LAPACK libraries.

lapack

LAPACK development repository

lapack-dsyevr-test

Important self-test of the famous lapack's diagonalization routine DSYEVR.

libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

mathlibs-tester

Simple testing of mathemathical libraries based upon the Autocmake buildup system.

molfdir

Program for Molecular Fock Dirac calculations

mpqc

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.