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120 changes: 74 additions & 46 deletions doc/develop/en/_sources/expert.rst.txt
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Expand Up @@ -243,52 +243,80 @@ User rules

- When the head of line is ``#``, the line is skipped.

======================== ===================================================================================
Keywords Details for corresponding files
======================== ===================================================================================
ModPara :math:`^*` Parameters for calculation.
LocSpin :math:`^*` Configurations of the local spins for Hamiltonian.
Trans Transfer and chemical potential for Hamiltonian.
InterAll Two-body interactions for Hamiltonian.
CoulombIntra CoulombIntra interactions.
CoulombInter CoulombInter interactions.
Hund Hund couplings.
PairHop Pair hopping couplings.
Exchange Exchange couplings.
Gutzwiller Gutzwiller factors.
Jastrow Charge Jastrow factors.
DH2 2-site doublon-holon correlation factors.
DH4 4-site doublon-holon correlation factors.
GeneralRBM_PhysLayer A part of the general RBM correlation factor including variational parameters
in a physical layer :math:`\alpha_{i\sigma}`.
GeneralRBM_HiddenLayer A part of the general RBM correlation factor including variational parameters
in a hidden layer :math:`h_{k}`.
GeneralRBM_PhysHidden A part of the general RBM correlation factor including variational parameters
which connect physical and hidden layers :math:`W_{i\sigma k}`.
Orbital :math:`^*` Pair orbital factors with anti-parallel spins :math:`f_{i\uparrow j\downarrow}`.
OrbitalAntiParallel Pair orbital factors with anti-parallel spins :math:`f_{i\uparrow j\downarrow}`.
OrbitalParallel Pair orbital factors with parallel spins :math:`f_{i\sigma j\sigma}`.
OrbitalGeneral Pair orbital factors :math:`f_{i\sigma_1 j\sigma_2}`.
TransSym :math:`^*` Translational and lattice symmetry operation.
InGutzwiller Initial values of Gutzwiller factors.
InJastrow Initial values of charge Jastrow factors.
InDH2 Initial values of 2-site doublon-holon correlation factors.
InDH4 Initial values of 4-site doublon-holon correlation factors.
InGeneralRBM_PhysLayer Initial values of variational parameters of the general RBM correlation factors
in a physical layer :math:`\alpha_{i\sigma}`.
InGeneralRBM_HiddenLayer Initial values of variational parameters of the general RBM correlation factors
in a hidden layer :math:`h_{k}`.
InGeneralRBM_PhysHidden Initial values of variational parameters of the general RBM correlation factors
which connect physical and hidden layers :math:`W_{i\sigma k}`.
InOrbital Initial values of pair orbital factors :math:`f_{i\uparrow j\downarrow}`.
InOrbitalAntiParallel Initial values of pair orbital factors :math:`f_{i\uparrow j\downarrow}`.
InOrbitalParallel Initial values of pair orbital factors :math:`f_{i\sigma j\sigma}`.
InOrbitalGeneral Initial values of pair orbital factors :math:`f_{i\sigma_1 j\sigma_2}`.
OneBodyG Output components for Green functions
:math:`\langle c_{i\sigma}^{\dagger}c_{j\sigma}\rangle`
TwoBodyG Output components for Correlation functions
:math:`\langle c_{i\sigma}^{\dagger}c_{j\sigma}c_{k\tau}^{\dagger}c_{l\tau}\rangle`
======================== ===================================================================================
.. list-table::
:widths: 30 70
:header-rows: 1

* - Keywords
- Details for corresponding files
* - ModPara :math:`^*`
- Parameters for calculation.
* - LocSpin :math:`^*`
- Configurations of the local spins for Hamiltonian.
* - Trans
- Transfer and chemical potential for Hamiltonian.
* - InterAll
- Two-body interactions for Hamiltonian.
* - CoulombIntra
- CoulombIntra interactions.
* - CoulombInter
- CoulombInter interactions.
* - Hund
- Hund couplings.
* - PairHop
- Pair hopping couplings.
* - Exchange
- Exchange couplings.
* - Gutzwiller
- Gutzwiller factors.
* - Jastrow
- Charge Jastrow factors.
* - DH2
- 2-site doublon-holon correlation factors.
* - DH4
- 4-site doublon-holon correlation factors.
* - GeneralRBM_PhysLayer
- A part of the general RBM correlation factor including variational parameters in a physical layer :math:`\alpha_{i\sigma}`.
* - GeneralRBM_HiddenLayer
- A part of the general RBM correlation factor including variational parameters in a hidden layer :math:`h_{k}`.
* - GeneralRBM_PhysHidden
- A part of the general RBM correlation factor including variational parameters which connect physical and hidden layers :math:`W_{i\sigma k}`.
* - Orbital :math:`^*`
- Pair orbital factors with anti-parallel spins :math:`f_{i\uparrow j\downarrow}`.
* - OrbitalAntiParallel
- Pair orbital factors with anti-parallel spins :math:`f_{i\uparrow j\downarrow}`.
* - OrbitalParallel
- Pair orbital factors with parallel spins :math:`f_{i\sigma j\sigma}`.
* - OrbitalGeneral
- Pair orbital factors :math:`f_{i\sigma_1 j\sigma_2}`.
* - TransSym :math:`^*`
- Translational and lattice symmetry operation.
* - InGutzwiller
- Initial values of Gutzwiller factors.
* - InJastrow
- Initial values of charge Jastrow factors.
* - InDH2
- Initial values of 2-site doublon-holon correlation factors.
* - InDH4
- Initial values of 4-site doublon-holon correlation factors.
* - InGeneralRBM_PhysLayer
- Initial values of variational parameters of the general RBM correlation factors in a physical layer :math:`\alpha_{i\sigma}`.
* - InGeneralRBM_HiddenLayer
- Initial values of variational parameters of the general RBM correlation factors in a hidden layer :math:`h_{k}`.
* - InGeneralRBM_PhysHidden
- Initial values of variational parameters of the general RBM correlation factors which connect physical and hidden layers :math:`W_{i\sigma k}`.
* - InOrbital
- Initial values of pair orbital factors :math:`f_{i\uparrow j\downarrow}`.
* - InOrbitalAntiParallel
- Initial values of pair orbital factors :math:`f_{i\uparrow j\downarrow}`.
* - InOrbitalParallel
- Initial values of pair orbital factors :math:`f_{i\sigma j\sigma}`.
* - InOrbitalGeneral
- Initial values of pair orbital factors :math:`f_{i\sigma_1 j\sigma_2}`.
* - OneBodyG
- Output components for Green functions :math:`\langle c_{i\sigma}^{\dagger}c_{j\sigma}\rangle`
* - TwoBodyG
- Output components for Correlation functions :math:`\langle c_{i\sigma}^{\dagger}c_{j\sigma}c_{k\tau}^{\dagger}c_{l\tau}\rangle`

ModPara file (modpara.def)
~~~~~~~~~~~~~~~~~~~~~~~~~~
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6 changes: 4 additions & 2 deletions doc/develop/en/_sources/intro.rst.txt
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Expand Up @@ -102,6 +102,8 @@ Contributors

This software is developed by following contributors.

- ver.1.3.0 (released at 2024/10/11)

- ver.1.2.0 (released at 2021/11/22)

- ver.1.1.0 (released at 2019/11/15)
Expand Down Expand Up @@ -165,9 +167,9 @@ Operating environment

mVMC is tested in the following platform:

- The supercomputer system-B sekirei in ISSP
- The supercomputer system-B ohtaka in ISSP

- The supercomputer system-C enaga in ISSP
- The supercomputer system-C kugui in ISSP

- OpenMPI + Intel Compiler + MKL

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2 changes: 1 addition & 1 deletion doc/develop/en/_static/documentation_options.js
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@@ -1,6 +1,6 @@
var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '1.2.0',
VERSION: '1.3.0',
LANGUAGE: 'en',
COLLAPSE_INDEX: false,
BUILDER: 'html',
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8 changes: 4 additions & 4 deletions doc/develop/en/acknowledge.html
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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />

<title>Acknowledgement &#8212; mVMC 1.2.0 documentation</title>
<title>Acknowledgement &#8212; mVMC 1.3.0 documentation</title>
<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=fa44fd50" />
<link rel="stylesheet" type="text/css" href="_static/classic.css?v=89b800e6" />

<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=4c8675c2"></script>
<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=3d533f9b"></script>
<script src="_static/doctools.js?v=888ff710"></script>
<script src="_static/sphinx_highlight.js?v=4825356b"></script>

Expand All @@ -26,7 +26,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="wannier/contact.html" title="Contact"
accesskey="P">previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Acknowledgement</a></li>
</ul>
</div>
Expand Down Expand Up @@ -93,7 +93,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="wannier/contact.html" title="Contact"
>previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Acknowledgement</a></li>
</ul>
</div>
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8 changes: 4 additions & 4 deletions doc/develop/en/algorithm.html
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<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />

<title>Algorithm &#8212; mVMC 1.2.0 documentation</title>
<title>Algorithm &#8212; mVMC 1.3.0 documentation</title>
<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=fa44fd50" />
<link rel="stylesheet" type="text/css" href="_static/classic.css?v=89b800e6" />

<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=4c8675c2"></script>
<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=3d533f9b"></script>
<script src="_static/doctools.js?v=888ff710"></script>
<script src="_static/sphinx_highlight.js?v=4825356b"></script>
<script async="async" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
Expand All @@ -31,7 +31,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="output.html" title="Output files"
accesskey="P">previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Algorithm</a></li>
</ul>
</div>
Expand Down Expand Up @@ -382,7 +382,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="output.html" title="Output files"
>previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Algorithm</a></li>
</ul>
</div>
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8 changes: 4 additions & 4 deletions doc/develop/en/appendix.html
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Expand Up @@ -5,11 +5,11 @@
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />

<title>Program for the unrestricted Hartree-Fock approximation &#8212; mVMC 1.2.0 documentation</title>
<title>Program for the unrestricted Hartree-Fock approximation &#8212; mVMC 1.3.0 documentation</title>
<link rel="stylesheet" type="text/css" href="_static/pygments.css?v=fa44fd50" />
<link rel="stylesheet" type="text/css" href="_static/classic.css?v=89b800e6" />

<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=4c8675c2"></script>
<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js?v=3d533f9b"></script>
<script src="_static/doctools.js?v=888ff710"></script>
<script src="_static/sphinx_highlight.js?v=4825356b"></script>
<script async="async" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
Expand All @@ -31,7 +31,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="algorithm.html" title="Algorithm"
accesskey="P">previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Program for the unrestricted Hartree-Fock approximation</a></li>
</ul>
</div>
Expand Down Expand Up @@ -314,7 +314,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="algorithm.html" title="Algorithm"
>previous</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.2.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">mVMC 1.3.0 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Program for the unrestricted Hartree-Fock approximation</a></li>
</ul>
</div>
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