CCL: Questions about SAPT2012 (Symmetry-AdaptedPerturbationTheory)
- From: "Renato Queiroga Pordeus"
<rpor_deus###yahoo.com.br>
- Subject: CCL: Questions about SAPT2012
(Symmetry-AdaptedPerturbationTheory)
- Date: Sun, 8 Jan 2017 13:28:21 -0500
Sent to CCL by: "Renato Queiroga Pordeus" [rpor_deus^-^yahoo.com.br]
Someone here in this forum could help me with the execution of calculations
in SAPT2012, I already have it installed but nevertheless I could not put
it in operation and I need to test it reproducing this article (DOI:
http://dx.doi.org/ 10.1063 /
1.3562209) for testing purposes. How to get
the .inp files and run the command line? Anyway, there are many doubts,
thank you for your cooperation.