{"added":null,"apiVersion":1,"behindSince":null,"buildDepends":[],"categories":["biology"],"comment":"Plotting wavefunctions (molecular orbitals) in 3D","compare":null,"dependentCount":null,"description":"PSI/88 Version 1.0  by W. L. Jorgensen \u0026 D. L. Severance\n\nTo plot wavefunctions in three dimensions from\nsemi-empirical and most popular ab initio basis sets.\nValence semi-empirical, STO-3G, 3-21++G(*) and\n6-31++G(d,p) basis sets are implemented for atoms\nH-Ar.\n\nOn-line manual is available at this web site.\n\nYou can also download the source code of psi88 from\nthe above site as a ``psi88.tar.gz''.  When you do ungzip and\nuntar this archive, you will obtain some documents and\nthe ``psi88.tar.Z'' file which is required at this port.","flavors":[],"html":"https://daemonports.org/dragonfly/biology/psi88/","kind":"port","lastUpdate":null,"license":null,"maintainer":"ports@FreeBSD.org","name":"psi88","newest":true,"newestVersion":"1.0","noVulnData":false,"origin":"biology/psi88","otherSystems":[{"maintainer":"ports@FreeBSD.org","newest":true,"origin":"biology/psi88","path":"/biology/psi88/","system":"FreeBSD","version":"1.0_17"},{"maintainer":"ports@FreeBSD.org","newest":true,"noVulnData":true,"origin":"biology/psi88","path":"","system":"HardenedBSD","version":"1.0_17"},{"maintainer":"ports@FreeBSD.org","newest":true,"noVulnData":true,"origin":"biology/psi88","path":"","system":"GhostBSD","version":"1.0_17"}],"packages":null,"pkgName":"psi88-1.0_17","related":["net-im/psi"],"repository":"DPorts","requiredBy":[],"requiredByCount":0,"runDepends":["lang/gcc11"],"status":null,"system":"dragonfly","systemLabel":"DragonFly","version":"1.0_17","versions":null,"vulnerabilities":null,"www":"http://zarbi.chem.yale.edu/products/psi88/index.shtml"}