PSI3 is a suite of programs for computing various properties of small- to medium-sized molecules using high-accuracy, ab initio, quantum mechanical models.
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PSI 3.4.0 is available as of 16 February 2009.
01/23/09 IF FREEZE_CORE is set, freeze 1s orbitals in Li and Be. -EFV 11/30/08 Updated programmer's manual in preparation for 3.4 release. -TDC 11/24/08 Wrote print_mos_aobasis in detcasman.cc to print CASSCF orbitals. -MT 11/21/08 Added libmints ...
01/23/09 IF FREEZE_CORE is set, freeze 1s orbitals in Li and Be. -EFV 11/30/08 Updated programmer's manual in preparation for 3.4 release. -TDC 11/24/08 Wrote print_mos_aobasis in detcasman.cc to print CASSCF orbitals. -MT 11/21/08 Added libmints ...
01/23/09 IF FREEZE_CORE is set, freeze 1s orbitals in Li and Be. -EFV 11/30/08 Updated programmer's manual in preparation for 3.4 release. -TDC 11/24/08 Wrote print_mos_aobasis in detcasman.cc to print CASSCF orbitals. -MT 11/21/08 Added libmints ...
01/23/09 IF FREEZE_CORE is set, freeze 1s orbitals in Li and Be. -EFV 11/30/08 Updated programmer's manual in preparation for 3.4 release. -TDC 11/24/08 Wrote print_mos_aobasis in detcasman.cc to print CASSCF orbitals. -MT 11/21/08 Added libmints ...
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