Releases: Cmurilochem/CHIPR_PES_FIT_4.0
Releases · Cmurilochem/CHIPR_PES_FIT_4.0
v2.0.1
v2.0.0
First release of CHIPR-4.0. This version is a major extension of the previous CHIPR-3.0 code which, besides diatomics and triatomics, also includes the possibility of fitting global PESs of A4-, AB3-, A2B2-, ABC2- and ABCD-type tetratomic molecules. Additionally, a new feature is that it allows the user to fine-tune ab initio diatomic curves using available spectroscopic data.
see https://data.mendeley.com/datasets/8wdv87gt5x/2 to access the original open source version of CHIPR-4.0 and publication.
v1.0.0
First release of the code dealing with only diatomic and triatomic molecules.
see also http://dx.doi.org/10.17632/8wdv87gt5x.1 to access the original open source version of CHIPR-3.0 and publication.