Pinned Repositories
CHEMSOL-for-phreeqc-plus
Source code of the ChemSol binary embedded in the Android app 'PHREEQC plus'
CP2K
CP2K based multipurpose electronic structure computational Android app
CP2K-for-Android
CP2K binaries for the CP2K Android app
crest-for-phreeqc-plus
Source code of CREST binaries included in the PHREEQC plus app
DFTB
General purpose quantum chemical code for molecular calculations
JH-suite
Empirical chemistry estimations package
PHREEQC-plus
PHREEQC + CHEMSOL + MOPAC + FastChem and more
X11-Basic-for-Android
Fork of the well-known X11-Basic project by Markus Hoffmann
yaehmop-1
Yet Another extended Hueckel Molecular Orbital Package
yaehmop-for-Android
This repo contains the modified YAeHMOP code used for the mobile app YAeHMOP
alanliska's Repositories
alanliska/JH-suite
Empirical chemistry estimations package
alanliska/PHREEQC-plus
PHREEQC + CHEMSOL + MOPAC + FastChem and more
alanliska/X11-Basic-for-Android
Fork of the well-known X11-Basic project by Markus Hoffmann
alanliska/yaehmop-1
Yet Another extended Hueckel Molecular Orbital Package
alanliska/yaehmop-for-Android
This repo contains the modified YAeHMOP code used for the mobile app YAeHMOP
alanliska/CHEMSOL-for-phreeqc-plus
Source code of the ChemSol binary embedded in the Android app 'PHREEQC plus'
alanliska/CP2K
CP2K based multipurpose electronic structure computational Android app
alanliska/CP2K-for-Android
CP2K binaries for the CP2K Android app
alanliska/crest-for-phreeqc-plus
Source code of CREST binaries included in the PHREEQC plus app
alanliska/DFTB
General purpose quantum chemical code for molecular calculations
alanliska/dftbplus-for-phreeqc-plus
DFTB+ general package for performing fast atomistic simulations
alanliska/FASTCHEM
Gas phase speciation modelling package
alanliska/FastChem-Cond-for-PHREEQC-plus
An ultra-fast equilibrium chemistry
alanliska/mopac-for-phreeqc-plus
Molecular Orbital PACkage
alanliska/occ-for-qcd
OCC binaries for the Android app QuantumChemDroid
alanliska/openbabel-for-phreeqc-plus
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
alanliska/phreeqc3-for-phreeqc-plus
alanliska/PlotMS-for-phreeqc-plus
Plot program for QCxMS spectrum plotting
alanliska/QCxMS-for-phreeqc-plus
Quantum mechanic mass spectrometry calculation program
alanliska/QuantumChemDroid
Source code of the Android app QuantumChemDroid
alanliska/SiamQuantum
Sources of the SiamQuantum mobile app for Android
alanliska/SiamQuantum-for-Android
SiamQuantum binaries for the SiamQuantum Android app
alanliska/stda-for-phreeqc-plus
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
alanliska/ulysses-for-qcd
ULYSSES binaries for the mobile app QuantumChemDroid
alanliska/XTB
Popular semiempirical extended tight-binding program package
alanliska/xtb-for-phreeqc-plus
Semiempirical Extended Tight-Binding Program Package
alanliska/xtb4stda-for-phreeqc-plus
sTDA-xTB Hamiltonian for ground state
alanliska/YAeHMOP
Source code of the YAeHMOP Android app