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Openmolcas

Version: 
21.10 (G100)

OpenMolcas is a quantum chemistry software package developed by scientists

and intended to be used by scientists. It includes programs to apply many

different electronic structure methods to chemical systems, but its key

feature is the multiconfigurational approach, with methods like CASSCF and

CASPT2.OpenMolcas is a quantum chemistry software package developed by scientists

and intended to be used by scientists. It includes programs to apply many

different electronic structure methods to chemical systems, but its key

feature is the multiconfigurational approach, with methods like CASSCF and

CASPT2.

Target user: 
all
Support level: 
low
Help and documentation: 

You can find documentation on the system, with the command 'module help openmolcas

- The manual is on the web at the original home page (https://gitlab.com/Molcas/OpenMolcas)

 

CINECA consultants can be reached through the address: superc@cineca.it'''

contact = superc@ccineca.it

Deadline: 
12/02/2024