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    16 repositories

    • QM-hands-on

      Public
      Materials for "Quantum Mechanics: Hands on" lecture at UCT Prague
      TeX
      •0•0•0•0•Updated Dec 13, 2024Dec 13, 2024

    • ABIN

      Public
      Multipurpose ab initio MD program.
      molecular-dynamicsab-initio
      Fortran
      •
      Other
      •5•9•19•5•Updated Dec 12, 2024Dec 12, 2024

    • qdyn

      Public
      Program for N-dimensional numerical quantum propagation on a grid.
      Fortran
      •0•0•6•1•Updated Dec 6, 2024Dec 6, 2024

    • promdens

      Public
      Promoted Density Approach for sampling initial conditions for trajectory-based nonadiabatic photodynamics.
      Python
      •
      MIT License
      •0•0•5•1•Updated Nov 11, 2024Nov 11, 2024

    • ABIN-Documentation

      Public
      Documentation for ABIN, see https://github.com/PHOTOX/ABIN
      TeX
      •0•1•0•0•Updated Apr 10, 2024Apr 10, 2024

    • photoxrepo

      Public
      Inputs, scripts and other useful stuff
      Shell
      •
      MIT License
      •3•5•0•0•Updated Nov 27, 2023Nov 27, 2023

    • AMBER-TC-INTERFACE

      Public
      A file from AmberTools/SANDER program that manages communication with TeraChem
      Fortran
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated Feb 7, 2023Feb 7, 2023

    • fanoci_code

      Public
      the Fano-CI code for the computation of decay widths of Fano resonances
      Fortran
      •1•0•0•0•Updated Apr 12, 2020Apr 12, 2020

    • Chemicka-kinetika

      Public
      Skripta z chemické kinetiky
      TeX
      •0•0•0•0•Updated Sep 8, 2019Sep 8, 2019

    • stieltjes_code

      Public
      the Stieltjes procedure correcting for the normalization of the pseudocontinuum
      Fortran
      •2•0•0•0•Updated Aug 30, 2018Aug 30, 2018

    • bep-model

      Public archive
      code moved to PHOTOX repository
      Python
      •
      MIT License
      •0•0•0•0•Updated Feb 19, 2018Feb 19, 2018

    • scripting-thursdays

      Public
      Make our scripts great again! #MOSGA
      Python
      •1•0•0•0•Updated Oct 12, 2017Oct 12, 2017

    • unwind

      Public
      Given the parameters of a Generalized Langevin Equation and the vibrational density of states predicts the velocity-velocity autcorrelation obtained by the dynamics. Conversely, given the velocity-velocity autocorrelation function removes the disturbance affected by the thermostat and returns the underlying vibrational density of states.
      Python
      •
      GNU General Public License v3.0
      •3•0•0•0•Updated Mar 7, 2017Mar 7, 2017

    • fuase

      Public
      modified copy of repository at https://svn.fysik.dtu.dk/projects/ase/trunk
      Python
      •
      Other
      •1•2•0•0•Updated Oct 28, 2015Oct 28, 2015

    • KvantChemCvika

      Public
      Soubor cvičení v programu ORCA pro předmět Praktikum z kvantové chemie
      TeX
      •
      MIT License
      •0•0•0•0•Updated Aug 31, 2015Aug 31, 2015

    • KvantovaChemieSkripta-OLD

      Public archive
      DEPRECATED: Skripta kvantové chemie pro stejnojmenný předmět na VŠCHT Praha.
      TeX
      •0•1•0•0•Updated Aug 28, 2015Aug 28, 2015