Skip to content
View alanliska's full-sized avatar
1 follower · 2 following
Block or Report

Block or report alanliska

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

  • PHREEQC-plus Public

    PHREEQC + CHEMSOL + MOPAC + FastChem and more

    Java 1 GNU General Public License v3.0 Updated Aug 7, 2024

  • CP2K Public

    CP2K based multipurpose electronic structure computational Android app

    Java GNU General Public License v3.0 Updated Aug 7, 2024

  • xtb-for-phreeqc-plus Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran GNU Lesser General Public License v3.0 Updated Jul 18, 2024

  • mopac-for-phreeqc-plus Public

    Forked from openmopac/mopac

    Molecular Orbital PACkage

    Fortran GNU Lesser General Public License v3.0 Updated Jul 18, 2024

  • dftbplus-for-phreeqc-plus Public

    Forked from dftbplus/dftbplus

    DFTB+ general package for performing fast atomistic simulations

    Fortran Other Updated Jul 18, 2024

  • yaehmop-for-Android Public

    This repo contains the modified YAeHMOP code used for the mobile app YAeHMOP

    C Other Updated Jul 11, 2024

  • YAeHMOP Public

    Source code of the YAeHMOP Android app

    Java GNU General Public License v3.0 Updated Jul 11, 2024

  • QuantumChemDroid Public

    Source code of the Android app QuantumChemDroid

    Java GNU General Public License v3.0 Updated Jun 26, 2024

  • ulysses-for-qcd Public

    ULYSSES binaries for the mobile app QuantumChemDroid

    C++ GNU Lesser General Public License v2.1 Updated Jun 26, 2024

  • occ-for-qcd Public

    OCC binaries for the Android app QuantumChemDroid

    C++ Other Updated Jun 26, 2024

  • CP2K-for-Android Public

    CP2K binaries for the CP2K Android app

    Fortran GNU General Public License v2.0 Updated Jun 26, 2024

  • PlotMS-for-phreeqc-plus Public

    Forked from qcxms/PlotMS

    Plot program for QCxMS spectrum plotting

    Fortran GNU Lesser General Public License v3.0 Updated Jun 26, 2024

  • QCxMS-for-phreeqc-plus Public

    Forked from qcxms/QCxMS

    Quantum mechanic mass spectrometry calculation program

    Fortran GNU Lesser General Public License v3.0 Updated Jun 26, 2024

  • X11-Basic-for-Android Public

    Fork of the well-known X11-Basic project by Markus Hoffmann

    android
    C 1 GNU General Public License v2.0 Updated Apr 18, 2024

  • CHEMSOL-for-phreeqc-plus Public

    Forked from jborden/ChemSol

    Source code of the ChemSol binary embedded in the Android app 'PHREEQC plus'

    Fortran Updated Apr 18, 2024

  • openbabel-for-phreeqc-plus Public

    Forked from openbabel/openbabel

    Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

    C++ GNU General Public License v2.0 Updated Apr 18, 2024

  • phreeqc3-for-phreeqc-plus Public

    Forked from usgs-coupled/phreeqc3
    C++ Updated Apr 18, 2024

  • stda-for-phreeqc-plus Public

    Forked from grimme-lab/stda

    stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)

    Fortran GNU Lesser General Public License v3.0 Updated Apr 18, 2024

  • xtb4stda-for-phreeqc-plus Public

    Forked from grimme-lab/xtb4stda

    sTDA-xTB Hamiltonian for ground state

    Fortran GNU Lesser General Public License v3.0 Updated Apr 18, 2024

  • FastChem-Cond-for-PHREEQC-plus Public

    Forked from NewStrangeWorlds/FastChem

    An ultra-fast equilibrium chemistry

    C++ GNU General Public License v3.0 Updated Apr 17, 2024

  • yaehmop-1 Public

    Forked from greglandrum/yaehmop

    Yet Another extended Hueckel Molecular Orbital Package

    C Other Updated Apr 8, 2024

  • XTB Public

    Popular semiempirical extended tight-binding program package

    Java GNU General Public License v3.0 Updated Oct 31, 2023

  • DFTB Public

    General purpose quantum chemical code for molecular calculations

    Java GNU General Public License v3.0 Updated Oct 31, 2023

  • JH-suite Public

    Empirical chemistry estimations package

    Java 1 GNU General Public License v3.0 Updated Sep 27, 2023

  • FASTCHEM Public

    Gas phase speciation modelling package

    Java GNU General Public License v3.0 Updated Sep 11, 2023