Jastrow factors used for the manuscript arXiv:2512.07530 in CASINO "casl" format. https://arxiv.org/abs/2512.07530
The files are organised as thus:
In the HEAT directory, are the Jastrow factor files used for calculations of the HEAT set. They are organised as
HEAT/${type}${Lee}-${Len}-${Leen}/parameters.${mol}.casl where type is DTN (fully optimised), mod (modular from atoms) or modnoopt (modular from atom, no reoptimisation of e-e term). Lee, Len and Leen are the cutoff parameters, and mol is the system for this Jastrow factor.
This directory contains the Jastrow factors (all modular) used for the binding curve of CO. They are organised as
bindCO/mod4.5-1-2/paramters.${r}.casl where r is the interatomic separation.
In this directory are the Jastrow factors used in calculating the ionisation potentials of the first row atoms. They are organised as HEAT/${type}/parameters.${basis}.${mol}.c${charge}.casl where type is DTN (fully optimised), mod (modular from atoms) or modnoopt (modular from atom, no reoptimisation of e-e term). All have cutoff lengths 4.5,1,2. ${basis} is either avdz (aug-cc-pvdz) or avtz (aug-cc-pvtz), and charge is either 1 (ion) or 0 (neutral atom). Note that the modnooopt directory only have charge=1 files, since the charge=0 is the same as those in the mod directory.