mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-30 00:44:37 +02:00
81bc60eb58
* Fixed energies of non-expected s2 * Moved diag_algorithm in Davdison * Fixed travis * Added print_ci_vector * Documentation * Cleaned qp_set_mo_class.ml * Removed Core in taskserver * Frozen core for heavy atoms * Improved molden module * In sync with manus * Fixed some of the documentation errors
67 lines
1.4 KiB
Groff
67 lines
1.4 KiB
Groff
.\" Man page generated from reStructuredText.
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.TH "QP_RESET" "1" "Mar 06, 2019" "2.0" "Quantum Package"
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.SH NAME
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qp_reset \- | Quantum Package >
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.
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.nr rst2man-indent-level 0
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.
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.de1 rstReportMargin
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\\$1 \\n[an-margin]
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level \\n[rst2man-indent-level]
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level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
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-
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\\n[rst2man-indent0]
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\\n[rst2man-indent1]
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\\n[rst2man-indent2]
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..
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.de1 INDENT
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.\" .rstReportMargin pre:
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. RS \\$1
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. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
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. nr rst2man-indent-level +1
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.\" .rstReportMargin post:
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..
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.de UNINDENT
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. RE
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.\" indent \\n[an-margin]
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.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.nr rst2man-indent-level -1
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.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
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..
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.sp
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This command resets parts of the \fI\%EZFIO\fP directory.
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.SH USAGE
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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qp_reset [\-adhm] EZFIO_DIR
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-a, \-\-all
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Reset to the state in which the directory is after after running qp_create_ezfio\&.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-d, \-\-dets
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Deletes the determinants and CI coefficients.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-m, \-\-mos
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Deletes the MOs, and consequently the determinants and CI coefficients.
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.UNINDENT
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.SH AUTHOR
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A. Scemama, E. Giner
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.SH COPYRIGHT
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2019, A. Scemama, E. Giner
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.\" Generated by docutils manpage writer.
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.
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