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Merge pull request #63 from k-ido/test_rbm
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add test
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@tmisawa
tmisawa authored Oct 1, 2024
2 parents 5ba89e0 + c36820d commit 14f95a6
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Showing 19 changed files with 2,108 additions and 0 deletions.
14 changes: 14 additions & 0 deletions test/python/CMakeLists.txt
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@@ -1,6 +1,7 @@
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/runtest.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/runtest_mode1.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/runtest_mpi.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/runtest_expert.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/runtest_UHF.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)
file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/test_UHF_InterAll.py DESTINATION ${CMAKE_BINARY_DIR}/test/python)

Expand All @@ -19,6 +20,11 @@ function(add_python_vmc_test_mpi model)
set_tests_properties(${model} PROPERTIES ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/test/python")
endfunction(add_python_vmc_test_mpi)

function(add_python_vmc_test_expert model)
add_test(NAME ${model} COMMAND ${PYTHON_EXECUTABLE} runtest_expert.py ${model})
set_tests_properties(${model} PROPERTIES ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/test/python")
endfunction(add_python_vmc_test_expert)

function(add_python_uhf_test model)
add_test(NAME ${model} COMMAND ${PYTHON_EXECUTABLE} runtest_UHF.py ${model})
set_tests_properties(${model} PROPERTIES ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/test/python")
Expand Down Expand Up @@ -61,13 +67,17 @@ set(python_test_vmc_model_mode1
HubbardChainLanczos
)

set(python_test_vmc_model_expert
GeneralRBM_cmp
)

set(python_test_uhf_model
UHF_HubbardSquare
UHF_HubbardTriangular
UHF_InterAll_N2
)


foreach(model ${python_test_vmc_model})
add_python_vmc_test(${model})
endforeach(model)
Expand All @@ -80,6 +90,10 @@ foreach(model ${python_test_vmc_model_mode1})
add_python_vmc_test_mode1(${model})
endforeach(model)

foreach(model ${python_test_vmc_model_expert})
add_python_vmc_test_expert(${model})
endforeach(model)

foreach(model ${python_test_uhf_model})
add_python_uhf_test(${model})
endforeach(model)
Expand Down
15 changes: 15 additions & 0 deletions test/python/data/GeneralRBM_cmp/coulombintra.def
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@@ -0,0 +1,15 @@
=============================================
NCoulombIntra 10
=============================================
================== CoulombIntra ================
=============================================
0 8.000000000000000
1 8.000000000000000
2 8.000000000000000
3 8.000000000000000
4 8.000000000000000
5 8.000000000000000
6 8.000000000000000
7 8.000000000000000
8 8.000000000000000
9 8.000000000000000
25 changes: 25 additions & 0 deletions test/python/data/GeneralRBM_cmp/greenone.def
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===============================
NCisAjs 20
===============================
======== Green functions ======
===============================
0 0 0 0
0 0 1 0
0 0 2 0
0 0 3 0
0 0 4 0
0 0 5 0
0 0 6 0
0 0 7 0
0 0 8 0
0 0 9 0
0 1 0 1
0 1 1 1
0 1 2 1
0 1 3 1
0 1 4 1
0 1 5 1
0 1 6 1
0 1 7 1
0 1 8 1
0 1 9 1
65 changes: 65 additions & 0 deletions test/python/data/GeneralRBM_cmp/greentwo.def
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=============================================
NCisAjsCktAltDC 60
=============================================
======== Green functions for Sq AND Nq ======
=============================================
0 0 0 0 0 0 0 0
0 0 0 0 0 1 0 1
0 0 0 0 1 0 1 0
0 0 0 0 1 1 1 1
0 0 0 0 2 0 2 0
0 0 0 0 2 1 2 1
0 0 0 0 3 0 3 0
0 0 0 0 3 1 3 1
0 0 0 0 4 0 4 0
0 0 0 0 4 1 4 1
0 0 0 0 5 0 5 0
0 0 0 0 5 1 5 1
0 0 0 0 6 0 6 0
0 0 0 0 6 1 6 1
0 0 0 0 7 0 7 0
0 0 0 0 7 1 7 1
0 0 0 0 8 0 8 0
0 0 0 0 8 1 8 1
0 0 0 0 9 0 9 0
0 0 0 0 9 1 9 1
0 0 0 0 0 1 0 1
0 0 1 0 1 1 0 1
0 0 2 0 2 1 0 1
0 0 3 0 3 1 0 1
0 0 4 0 4 1 0 1
0 0 5 0 5 1 0 1
0 0 6 0 6 1 0 1
0 0 7 0 7 1 0 1
0 0 8 0 8 1 0 1
0 0 9 0 9 1 0 1
0 1 0 1 0 0 0 0
0 1 1 1 1 0 0 0
0 1 2 1 2 0 0 0
0 1 3 1 3 0 0 0
0 1 4 1 4 0 0 0
0 1 5 1 5 0 0 0
0 1 6 1 6 0 0 0
0 1 7 1 7 0 0 0
0 1 8 1 8 0 0 0
0 1 9 1 9 0 0 0
0 1 0 1 0 0 0 0
0 1 0 1 0 1 0 1
0 1 0 1 1 0 1 0
0 1 0 1 1 1 1 1
0 1 0 1 2 0 2 0
0 1 0 1 2 1 2 1
0 1 0 1 3 0 3 0
0 1 0 1 3 1 3 1
0 1 0 1 4 0 4 0
0 1 0 1 4 1 4 1
0 1 0 1 5 0 5 0
0 1 0 1 5 1 5 1
0 1 0 1 6 0 6 0
0 1 0 1 6 1 6 1
0 1 0 1 7 0 7 0
0 1 0 1 7 1 7 1
0 1 0 1 8 0 8 0
0 1 0 1 8 1 8 1
0 1 0 1 9 0 9 0
0 1 0 1 9 1 9 1
16 changes: 16 additions & 0 deletions test/python/data/GeneralRBM_cmp/gutzwilleridx.def
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@@ -0,0 +1,16 @@
=============================================
NGutzwillerIdx 1
ComplexType 0
=============================================
=============================================
0 0
1 0
2 0
3 0
4 0
5 0
6 0
7 0
8 0
9 0
0 1
1 change: 1 addition & 0 deletions test/python/data/GeneralRBM_cmp/initial.def
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100 changes: 100 additions & 0 deletions test/python/data/GeneralRBM_cmp/jastrowidx.def
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@@ -0,0 +1,100 @@
=============================================
NJastrowIdx 5
ComplexType 0
=============================================
=============================================
0 1 0
0 2 1
0 3 2
0 4 3
0 5 4
0 6 3
0 7 2
0 8 1
0 9 0
1 0 0
1 2 0
1 3 1
1 4 2
1 5 3
1 6 4
1 7 3
1 8 2
1 9 1
2 0 1
2 1 0
2 3 0
2 4 1
2 5 2
2 6 3
2 7 4
2 8 3
2 9 2
3 0 2
3 1 1
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3 4 0
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3 6 2
3 7 3
3 8 4
3 9 3
4 0 3
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9 0 0
9 1 1
9 2 2
9 3 3
9 4 4
9 5 3
9 6 2
9 7 1
9 8 0
0 1
1 1
2 1
3 1
4 1
15 changes: 15 additions & 0 deletions test/python/data/GeneralRBM_cmp/locspn.def
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@@ -0,0 +1,15 @@
================================
NlocalSpin 0
================================
========i_0LocSpn_1IteElc ======
================================
0 0
1 0
2 0
3 0
4 0
5 0
6 0
7 0
8 0
9 0
33 changes: 33 additions & 0 deletions test/python/data/GeneralRBM_cmp/modpara.def
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@@ -0,0 +1,33 @@
--------------------
Model_Parameters 0
--------------------
VMC_Cal_Parameters
--------------------
CDataFileHead zvo
CParaFileHead zqp
--------------------
NVMCCalMode 0
--------------------
NDataIdxStart 1
NDataQtySmp 1
--------------------
Nsite 10
Ncond 10
2Sz 0
NSPGaussLeg 1
NSPStot 0
NMPTrans 1
NSROptItrStep 1500
NSROptItrSmp 100
DSROptRedCut 1e-10
DSROptStaDel 0.0010000000
DSROptStepDt 0.0030000000
NVMCWarmUp 10
NVMCInterval 1
NVMCSample 100
NExUpdatePath 0
NSplitSize 1
NStore 1
NSRCG 0
NneuronGeneral 40
RndSeed 12395
13 changes: 13 additions & 0 deletions test/python/data/GeneralRBM_cmp/namelist.def
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@@ -0,0 +1,13 @@
ModPara modpara.def
LocSpin locspn.def
Trans trans.def
CoulombIntra coulombintra.def
OneBodyG greenone.def
TwoBodyG greentwo.def
Gutzwiller gutzwilleridx.def
Jastrow jastrowidx.def
Orbital orbitalidx.def
TransSym qptransidx.def
GeneralRBM_HiddenLayer rbm_hlayeridx.def
GeneralRBM_PhysLayer rbm_playeridx.def
GeneralRBM_PhysHidden rbm_phidx.def
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