<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Molproers,<div><br></div><div>I am trying to get a SA-CASSCF to start using matrop-read orbitals from a calculation with the same geometry using a higher symmetry (specifically, I am trying to use c2v orbitals as input to a calculation at the same geometry but with the symmetry asserted as c2 instead of c2v). The matrop module quits with an "end of file" error, presumably because it doesn't know that it is reading c2v orbitals (it thinks the symmetry is c2). Is there something I can tell matrop to make it realize that it is reading c2v orbitals instead of c2? </div><div><br></div><div>Many Thanks,</div><div><br></div><div>Seth<br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">---------------------------------------------------<br>Seth Olsen<br>ARC Australian Research Fellow<br>6-431 Physics Annexe<br>School of Mathematics and Physics<br>The University of Queensland<br>Brisbane QLD 4072 Australia<br><a href="mailto:seth.olsen@uq.edu.au">seth.olsen@uq.edu.au</a></div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">+61 7 3365 2816<br>---------------------------------------------------<br>Unless stated otherwise, this e-mail represents only the views of the Sender and not the views of The University of Queensland</div></span></div></span></span>
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