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.TH "MOLDEN" "1" "Jan 29, 2019" "2.0" "Quantum Package"
.SH NAME
molden \-  | Quantum Package >
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.nr rst2man-indent-level 0
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.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:
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.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
Produces a Molden file
.sp
Needs:
.INDENT 0.0
.INDENT 2.0
.IP \(bu 2
\fBezfio_filename\fP
.UNINDENT
.INDENT 2.0
.UNINDENT
.INDENT 2.0
.UNINDENT
.UNINDENT
.sp
Calls:
.INDENT 0.0
.INDENT 2.0
.IP \(bu 2
\fBwrite_ao_basis()\fP
.IP \(bu 2
\fBwrite_geometry()\fP
.UNINDENT
.INDENT 2.0
.IP \(bu 2
\fBwrite_intro_gamess()\fP
.UNINDENT
.INDENT 2.0
.IP \(bu 2
\fBwrite_mo_basis()\fP
.UNINDENT
.UNINDENT
.UNINDENT
.UNINDENT
.SH AUTHOR
A. Scemama, E. Giner
.SH COPYRIGHT
2019, A. Scemama, E. Giner
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