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Merge pull request #46 from k-ido/rbm_beta_dev
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beta ver. of a RBM correlation factor
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@tmisawa
tmisawa authored Aug 24, 2023
2 parents 37eb2aa + bf91982 commit a3ffa6a
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425 changes: 423 additions & 2 deletions doc/en/source/expert.rst
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67 changes: 40 additions & 27 deletions doc/en/source/output.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -14,33 +14,39 @@ where both ``NDataIdxStart`` and ``NDataQtySmp`` are defined in
``ModPara`` file and zzz is a number given by ``NDataIdxStart`` in
``ModPara``.

+--------------------------------------+---------------------------------------------------------------+
| Name | Details for corresponding files |
+======================================+===============================================================+
| \*\*\*\_opt.dat | All optimized parameters. |
+--------------------------------------+---------------------------------------------------------------+
| \*\*\*\_gutzwiller\_opt.dat | Optimized gutzwiller factors. |
+--------------------------------------+---------------------------------------------------------------+
| \*\*\*\_jastrow\_opt.dat | Optimized jastrow factors. |
+--------------------------------------+---------------------------------------------------------------+
| \*\*\*\_doublonHolon2site\_opt.dat | Optimized 2-site doublon-holon correlation factors. |
+--------------------------------------+---------------------------------------------------------------+
| \*\*\*\_doublonHolon4site\_opt.dat | Optimized 4-site doublon-holon correlation factors. |
+--------------------------------------+---------------------------------------------------------------+
| \*\*\*\_orbital\_opt.dat | Optimized pair orbital factors. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_out\_yyy.dat | Energy and deviation. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_var\_yyy.dat | Progress information for optimizing variational parameters. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_CalcTimer.dat | Computation time for each processes. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_time\_zzz.dat | Progress information for MonteCalro samplings. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_cisajs\_yyy.dat | One body Green’s functions. |
+--------------------------------------+---------------------------------------------------------------+
| xxx\_cisajscktalt\_yyy.dat | Correlation functions. |
+--------------------------------------+---------------------------------------------------------------+
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| Name | Details for corresponding files |
+==========================================+========================================================================================================================+
| \*\*\*\_opt.dat | All optimized parameters. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_gutzwiller\_opt.dat | Optimized gutzwiller factors. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_jastrow\_opt.dat | Optimized jastrow factors. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_doublonHolon2site\_opt.dat | Optimized 2-site doublon-holon correlation factors. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_doublonHolon4site\_opt.dat | Optimized 4-site doublon-holon correlation factors. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_generalRBM\_physlayer\_opt.dat | Optimized variational parameters of the general RBM correlation factors only in a physical layer. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_generalRBM\_hiddenlayer\_opt.dat | Optimized variational parameters of the general RBM correlation factors only in a hidden layer. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_orbital\_opt.dat | Optimized variational parameters of the general RBM correlation factors which connect physical and hidden layers. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| \*\*\*\_orbital\_opt.dat | Optimized pair orbital factors. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_out\_yyy.dat | Energy and deviation. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_var\_yyy.dat | Progress information for optimizing variational parameters. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_CalcTimer.dat | Computation time for each processes. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_time\_zzz.dat | Progress information for Monte Carlo samplings. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_cisajs\_yyy.dat | One body Green’s functions. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+
| xxx\_cisajscktalt\_yyy.dat | Correlation functions. |
+------------------------------------------+------------------------------------------------------------------------------------------------------------------------+

Output file for variational parameters (\*\*\*\_opt.dat)
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Expand Down Expand Up @@ -100,6 +106,13 @@ The optimized 4-site doublon-holon correlation factors by SR method are
outputted. The file format is same as the ``InDH4`` file defined in Sec.
:ref:`InputParam`.

Output files for general RBM factors(\*\*\*\_generalRBM\_physlayer\_opt.dat, \*\*\*\_generalRBM\_hiddenlayer\_opt.dat, \*\*\*\_generalRBM\_physhidden\_opt.dat)
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

The optimized general RBM correlation factors by SR method are outputted.
The file format is same as the ``InGeneralRBM_PhysLayer``, ``InGeneralRBM_HiddenLayer`` and ``InGeneralRBM_PhysHidden`` files defined in Sec.
:ref:`InputParam`.

Output file for pair orbitals (\*\*\*\_orbital\_opt.dat)
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

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