mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 10:03:47 +01:00
49e9488f62
* fixed laplacian of aos * corrected the laplacians of aos * added dft_one_e * added new feature for new dft functionals * changed the configure to add new functionals * changed the configure * added dft_one_e/README.rst * added README.rst in new_functionals * added source/programmers_guide/new_ks.rst * Thesis Yann * Added gmp installation in configure * improved qp_e_conv_fci * Doc * Typos * Added variance_max * Fixed completion in qp_create * modif TODO * fixed DFT potential for n_states gt 1 * improved pot pbe * trying to improve sr PBE * fixed potential pbe * fixed the vxc smashed for pbe sr and normal * Comments in selection * bug fixed by peter * Fixed bug with zero beta electrons * Update README.rst * Update e_xc_new_func.irp.f * Update links.rst * Update quickstart.rst * Update quickstart.rst * updated cipsi * Fixed energies of non-expected s2 (#9) * Moved diag_algorithm in Davdison
71 lines
1.6 KiB
Groff
71 lines
1.6 KiB
Groff
.\" Man page generated from reStructuredText.
|
||
.
|
||
.TH "QP_EXPORT_AS_TGZ" "1" "Feb 06, 2019" "2.0" "Quantum Package"
|
||
.SH NAME
|
||
qp_export_as_tgz \- | 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
|
||
..
|
||
.sp
|
||
In some HPC facilities, the access to the internet is limited for
|
||
security reasons. In such an environment, the installation of \fIQuantum Package\fP is
|
||
sometimes very painful because the OCaml compiler and the libraries
|
||
can’t be installed by a non\-root user.
|
||
.sp
|
||
This command creates a self\-contained binary distribution in the form of
|
||
a \fItar.gz\fP file that can be copied on another machine.
|
||
.SH USAGE
|
||
.INDENT 0.0
|
||
.INDENT 3.5
|
||
.sp
|
||
.nf
|
||
.ft C
|
||
qp_export_as_tgz [\-h|\-\-help]
|
||
.ft P
|
||
.fi
|
||
.UNINDENT
|
||
.UNINDENT
|
||
.INDENT 0.0
|
||
.TP
|
||
.B \-h, \-\-help
|
||
Prints the help message
|
||
.UNINDENT
|
||
.sp
|
||
\fBNOTE:\fP
|
||
.INDENT 0.0
|
||
.INDENT 3.5
|
||
There can be conflicts due to the version of glibc. The machine on which \fIQuantum Package\fP is
|
||
compiled should be the oldest one.
|
||
.UNINDENT
|
||
.UNINDENT
|
||
.SH AUTHOR
|
||
A. Scemama, E. Giner
|
||
.SH COPYRIGHT
|
||
2019, A. Scemama, E. Giner
|
||
.\" Generated by docutils manpage writer.
|
||
.
|