9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 12:03:30 +01:00
qp2/man/diagonalize_h.1

86 lines
1.6 KiB
Groff
Raw Normal View History

2019-01-25 11:39:31 +01:00
.\" Man page generated from reStructuredText.
.
2019-06-15 00:20:35 +02:00
.TH "DIAGONALIZE_H" "1" "Jun 15, 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.
.