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mVMC Developers committed Oct 5, 2024
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120 changes: 74 additions & 46 deletions doc/master/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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28 changes: 12 additions & 16 deletions doc/master/en/expert.html
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Expand Up @@ -226,6 +226,10 @@ <h3>User rules<a class="headerlink" href="#user-rules" title="Permalink to this
<li><p>When the head of line is <code class="docutils literal notranslate"><span class="pre">#</span></code>, the line is skipped.</p></li>
</ul>
<table class="docutils align-default">
<colgroup>
<col style="width: 30.0%" />
<col style="width: 70.0%" />
</colgroup>
<thead>
<tr class="row-odd"><th class="head"><p>Keywords</p></th>
<th class="head"><p>Details for corresponding files</p></th>
Expand Down Expand Up @@ -272,16 +276,13 @@ <h3>User rules<a class="headerlink" href="#user-rules" title="Permalink to this
<td><p>4-site doublon-holon correlation factors.</p></td>
</tr>
<tr class="row-odd"><td><p>GeneralRBM_PhysLayer</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters
in a physical layer <span class="math notranslate nohighlight">\(\alpha_{i\sigma}\)</span>.</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters in a physical layer <span class="math notranslate nohighlight">\(\alpha_{i\sigma}\)</span>.</p></td>
</tr>
<tr class="row-even"><td><p>GeneralRBM_HiddenLayer</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters
in a hidden layer <span class="math notranslate nohighlight">\(h_{k}\)</span>.</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters in a hidden layer <span class="math notranslate nohighlight">\(h_{k}\)</span>.</p></td>
</tr>
<tr class="row-odd"><td><p>GeneralRBM_PhysHidden</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters
which connect physical and hidden layers <span class="math notranslate nohighlight">\(W_{i\sigma k}\)</span>.</p></td>
<td><p>A part of the general RBM correlation factor including variational parameters which connect physical and hidden layers <span class="math notranslate nohighlight">\(W_{i\sigma k}\)</span>.</p></td>
</tr>
<tr class="row-even"><td><p>Orbital <span class="math notranslate nohighlight">\(^*\)</span></p></td>
<td><p>Pair orbital factors with anti-parallel spins <span class="math notranslate nohighlight">\(f_{i\uparrow j\downarrow}\)</span>.</p></td>
Expand Down Expand Up @@ -311,16 +312,13 @@ <h3>User rules<a class="headerlink" href="#user-rules" title="Permalink to this
<td><p>Initial values of 4-site doublon-holon correlation factors.</p></td>
</tr>
<tr class="row-odd"><td><p>InGeneralRBM_PhysLayer</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors
in a physical layer <span class="math notranslate nohighlight">\(\alpha_{i\sigma}\)</span>.</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors in a physical layer <span class="math notranslate nohighlight">\(\alpha_{i\sigma}\)</span>.</p></td>
</tr>
<tr class="row-even"><td><p>InGeneralRBM_HiddenLayer</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors
in a hidden layer <span class="math notranslate nohighlight">\(h_{k}\)</span>.</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors in a hidden layer <span class="math notranslate nohighlight">\(h_{k}\)</span>.</p></td>
</tr>
<tr class="row-odd"><td><p>InGeneralRBM_PhysHidden</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors
which connect physical and hidden layers <span class="math notranslate nohighlight">\(W_{i\sigma k}\)</span>.</p></td>
<td><p>Initial values of variational parameters of the general RBM correlation factors which connect physical and hidden layers <span class="math notranslate nohighlight">\(W_{i\sigma k}\)</span>.</p></td>
</tr>
<tr class="row-even"><td><p>InOrbital</p></td>
<td><p>Initial values of pair orbital factors <span class="math notranslate nohighlight">\(f_{i\uparrow j\downarrow}\)</span>.</p></td>
Expand All @@ -335,12 +333,10 @@ <h3>User rules<a class="headerlink" href="#user-rules" title="Permalink to this
<td><p>Initial values of pair orbital factors <span class="math notranslate nohighlight">\(f_{i\sigma_1 j\sigma_2}\)</span>.</p></td>
</tr>
<tr class="row-even"><td><p>OneBodyG</p></td>
<td><p>Output components for Green functions
<span class="math notranslate nohighlight">\(\langle c_{i\sigma}^{\dagger}c_{j\sigma}\rangle\)</span></p></td>
<td><p>Output components for Green functions <span class="math notranslate nohighlight">\(\langle c_{i\sigma}^{\dagger}c_{j\sigma}\rangle\)</span></p></td>
</tr>
<tr class="row-odd"><td><p>TwoBodyG</p></td>
<td><p>Output components for Correlation functions
<span class="math notranslate nohighlight">\(\langle c_{i\sigma}^{\dagger}c_{j\sigma}c_{k\tau}^{\dagger}c_{l\tau}\rangle\)</span></p></td>
<td><p>Output components for Correlation functions <span class="math notranslate nohighlight">\(\langle c_{i\sigma}^{\dagger}c_{j\sigma}c_{k\tau}^{\dagger}c_{l\tau}\rangle\)</span></p></td>
</tr>
</tbody>
</table>
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