Downloads

MultiWell Master Equation Package

  • Linux/Unix/Mac and source codes: multiwell-2023.1-u.zip
    • For compiling the source codes, see the User Manual.
  • Windows Executables: multiwell-2023-WINDOWS
    • Note that execution of parallel codes (paradensum.exe and parsctst.exe) is special; see the User Manual.
    • Jason Sonk (University of Michigan) compiled the Windows versions of the serial codes. Windows versions of paradensum and parsctst were developed and compiled by the group of Michele Ceotto (Universit√† degli Studi di Milano).
  • User Manual: MultiWell User Manual-2023
  • Examples: examples-2023.zip
  • Revision-History.pdf

TS Master Equation Package

Provided by T. Lam Nguyen and John Stanton

TDME Master Equation Package

Provided by T. Lam Nguyen and John Stanton

  • Fully-parallel, Time-dependent, fixed-J Master Equation
  • Documentation is included
  • tdme Package: pTDME.zip

Thermodynamics DataBase

Provided by John Simmie

Efficient Codes for Computing Vibrational Anharmonicities

FDACC Script

Provided by Michele Ceotto, Chiara Aieta, Luca Corneo, and Giacomo Mandelli,

CFOUR Quantum Chemistry Code

Note: CFOUR has a fast algorithm: see the CFOUR website.