9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-05 07:35:59 +02:00
qp2/man/plugins.1
Anthony Scemama 8b22e38c9c
Develop (#15)
* 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

* Add print_ci_vector in tools (#11)

* 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

* Merge develop-toto and manus (#12)

* 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

* Develop toto (#13)

* 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

* Develop manus (#14)

* modified printing for rpt2

* Comment

* Fixed plugins

* Scripting for functionals

* Documentation

* Develop (#10)

* 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

* some modifs

* modified gfortran_debug.cfg

* fixed automatization of functionals

* modified e_xc_general.irp.f

* minor modifs in ref_bitmask.irp.f

* modifying functionals

* rs_ks_scf and ks_scf compiles with the automatic handling of functionals

* removed prints

* fixed configure

* fixed the new functionals

* Merge toto

* modified automatic functionals

* Changed python into python2

* from_xyz suppressed

* Cleaning repo

* Update README.md

* Update README.md

* Contributors

* Update GITHUB.md

* bibtex
2019-03-07 16:29:06 +01:00

110 lines
2.3 KiB
Groff

.\" Man page generated from reStructuredText.
.
.TH "PLUGINS" "1" "Mar 07, 2019" "2.0" "Quantum Package"
.SH NAME
plugins \- | 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
\fIQuantum Package\fP has very few executables out of the box. Most of the time,
external plugins need to be downloaded and installed in the
\fB$QP_ROOT/plugins\fP directory.
.sp
Plugins are usually hosted in external repositories. To download a
plugin, the remote repository needs to be downloaded, and the plugins of
the repository can be selected for installation.
.sp
To download an external repository of plugins, run the following
command:
.INDENT 0.0
.INDENT 3.5
.sp
.nf
.ft C
qp_plugins download http://somewhere/over/the/rainbow/ext_repo
.ft P
.fi
.UNINDENT
.UNINDENT
.sp
This downloads a copy of the repository of external plugins \fBext_repo\fP
in \fB$QP_ROOT/plugins\fP\&.
.sp
The list of available uninstalled plugins can be seen using:
.INDENT 0.0
.INDENT 3.5
.sp
.nf
.ft C
qp_plugins list \-u
.ft P
.fi
.UNINDENT
.UNINDENT
.sp
Now, the specific plugin \fBext_module\fP contained in the repository
\fBext_repo\fP can be installed using:
.INDENT 0.0
.INDENT 3.5
.sp
.nf
.ft C
qp_plugins install ext_module
.ft P
.fi
.UNINDENT
.UNINDENT
.sp
The module is now accessible via a symbolic link in \fB$QP_ROOT/src\fP,
and can be compiled as any module, running \fI\%Ninja\fP\&.
.sp
To remove the module, run
.INDENT 0.0
.INDENT 3.5
.sp
.nf
.ft C
qp_plugins uninstall ext_module
.ft P
.fi
.UNINDENT
.UNINDENT
.sp
\fBSEE ALSO:\fP
.INDENT 0.0
.INDENT 3.5
For a more detailed explanation and an example, see qp_plugins\&.
.UNINDENT
.UNINDENT
.SH AUTHOR
A. Scemama, E. Giner
.SH COPYRIGHT
2019, A. Scemama, E. Giner
.\" Generated by docutils manpage writer.
.