.TH "sc::PsiFile11" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::PsiFile11 \- \fBPsiFile11\fP is a Psi gradient file\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::RefCount\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBPsiFile11\fP (const string &name)" .br .ti -1c .RI "void \fBopen\fP ()" .br .ti -1c .RI "void \fBclose\fP ()" .br .ti -1c .RI "void \fBremove\fP ()" .br .ti -1c .RI "int \fBget_natom\fP (int entry)" .br .ti -1c .RI "double \fBget_energy\fP (int entry)" .br .ti -1c .RI "double \fBget_coord\fP (int entry, int atom, int xyz)" .br .ti -1c .RI "double \fBget_grad\fP (int entry, int atom, int xyz)" .br .in -1c .SS "Additional Inherited Members" .SH "Detailed Description" .PP \fBPsiFile11\fP is a Psi gradient file\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.