2019-01-25 11:39:31 +01:00
|
|
|
.\" Man page generated from reStructuredText.
|
|
|
|
|
.
|
2019-03-07 15:12:02 +01:00
|
|
|
.TH "DIAGONALIZE_H" "1" "Mar 07, 2019" "2.0" "Quantum Package"
|
2019-01-25 11:39:31 +01:00
|
|
|
.SH NAME
|
|
|
|
|
diagonalize_h \- | Quantum Package >
|
|
|
|
|
.
|
|
|
|
|
.nr rst2man-indent-level 0
|
|
|
|
|
.
|
|
|
|
|
.de1 rstReportMargin
|
|
|
|
|
\\$1 \\n[an-margin]
|
|
|
|
|
level \\n[rst2man-indent-level]
|
|
|
|
|
level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
|
|
|
|
-
|
|
|
|
|
\\n[rst2man-indent0]
|
|
|
|
|
\\n[rst2man-indent1]
|
|
|
|
|
\\n[rst2man-indent2]
|
|
|
|
|
..
|
|
|
|
|
.de1 INDENT
|
|
|
|
|
.\" .rstReportMargin pre:
|
|
|
|
|
. RS \\$1
|
|
|
|
|
. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
|
|
|
|
|
. nr rst2man-indent-level +1
|
|
|
|
|
.\" .rstReportMargin post:
|
|
|
|
|
..
|
|
|
|
|
.de UNINDENT
|
|
|
|
|
. RE
|
|
|
|
|
.\" indent \\n[an-margin]
|
|
|
|
|
.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
|
|
|
|
.nr rst2man-indent-level -1
|
|
|
|
|
.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
|
|
|
|
|
.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
|
|
|
|
|
..
|
|
|
|
|
.INDENT 0.0
|
|
|
|
|
.INDENT 3.5
|
2019-01-29 23:10:00 +01:00
|
|
|
Program that extracts the \fBdeterminants n_states\fP lowest
|
|
|
|
|
states of the Hamiltonian within the set of Slater determinants stored
|
|
|
|
|
in the \fI\%EZFIO\fP directory.
|
2019-01-25 11:39:31 +01:00
|
|
|
.sp
|
2019-01-29 23:10:00 +01:00
|
|
|
If \fBdeterminants s2_eig\fP = \fBtrue\fP, it will retain only states
|
|
|
|
|
which correspond to the desired value of
|
|
|
|
|
\fBdeterminants expected_s2\fP\&.
|
2019-01-25 11:39:31 +01:00
|
|
|
.sp
|
|
|
|
|
Needs:
|
|
|
|
|
.INDENT 0.0
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.IP \(bu 2
|
2019-01-25 14:54:22 +01:00
|
|
|
\fBread_wf\fP
|
2019-01-25 11:39:31 +01:00
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
2019-01-25 14:54:22 +01:00
|
|
|
.UNINDENT
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.sp
|
|
|
|
|
Calls:
|
|
|
|
|
.INDENT 0.0
|
|
|
|
|
.INDENT 2.0
|
2019-01-25 11:39:31 +01:00
|
|
|
.IP \(bu 2
|
2019-01-25 14:54:22 +01:00
|
|
|
\fBroutine()\fP
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
2019-01-25 11:39:31 +01:00
|
|
|
.UNINDENT
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.sp
|
2019-01-25 14:54:22 +01:00
|
|
|
Touches:
|
2019-01-25 11:39:31 +01:00
|
|
|
.INDENT 0.0
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.IP \(bu 2
|
2019-01-25 14:54:22 +01:00
|
|
|
\fBread_wf\fP
|
2019-01-25 11:39:31 +01:00
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.INDENT 2.0
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.UNINDENT
|
|
|
|
|
.SH AUTHOR
|
|
|
|
|
A. Scemama, E. Giner
|
|
|
|
|
.SH COPYRIGHT
|
2019-01-25 14:54:22 +01:00
|
|
|
2019, A. Scemama, E. Giner
|
2019-01-25 11:39:31 +01:00
|
|
|
.\" Generated by docutils manpage writer.
|
|
|
|
|
.
|
