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Merge pull request #94 from issp-center-dev/use_DSQSS_as_reference
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use DSQSS/DLA for preparing reference QMC data of sample
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yomichi authored May 30, 2024
2 parents 2b61099 + d28994a commit b3ef5fb
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9 changes: 5 additions & 4 deletions docs/sphinx/en/tutorial/03_finite_temperature.rst
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Expand Up @@ -80,10 +80,11 @@ Running the following:
gnuplot -persist plot_mx.plt
gnuplot -persist plot_mz.plt

will display plots for energy, heat capacity, and magnetizations (:math:`m_x` and :math:`m_z`). The resulting plots are illustrated in :numref:`fig_tutorial8_finitetemperature`. For comparison, results obtained using Quantum Monte Carlo calculations are also shown (using ``ALPS/looper``).
will display plots for energy, heat capacity, and magnetizations (:math:`m_x` and :math:`m_z`). The resulting plots are illustrated in :numref:`fig_tutorial3_finitetemperature`. For comparison, results obtained using Quantum Monte Carlo calculations are also shown (using ``DSQSS/dla``).

.. figure:: ../../img/tutorial_08_finitetemperature.*
:name: fig_tutorial8_finitetemperature
.. figure:: ../../img/tutorial_03_finitetemperature.*
:name: fig_tutorial3_finitetemperature
:width: 600px

Graphs for the finite temperature calculations of the Ising model: (a) energy, (b) heat capacity, (c) :math:`m_x`, and (d) :math:`m_z`. The vertical axis represents the physical quantity, and the horizontal axis denotes temperature.
Graphs for the finite temperature calculations of the Ising model: (a) energy, (b) heat capacity, (c) transverse magnetization, and (d) longitudinal magnetization. The vertical axis represents the physical quantity, and the horizontal axis denotes temperature.
Curves are results by TeNeS and squares are results by DSQSS/dla (longitudinal magnetization is zero from symmetry).
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11 changes: 6 additions & 5 deletions docs/sphinx/ja/tutorial/03_finite_temperature.rst
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Expand Up @@ -83,11 +83,12 @@
gnuplot -persist plot_mx.plt
gnuplot -persist plot_mz.plt

その結果を :numref:`fig_tutorial8_finitetemperature` に示します。
比較のため、量子モンテカルロ法を用いて計算した結果も一緒に表示しています ( ``ALPS/looper`` を使用)。
その結果を :numref:`fig_tutorial3_finitetemperature` に示します。
比較のため、量子モンテカルロ法を用いて計算した結果も一緒に表示しています ( ``DSQSS/dla`` を使用)。

.. figure:: ../../img/tutorial_08_finitetemperature.*
:name: fig_tutorial8_finitetemperature
.. figure:: ../../img/tutorial_03_finitetemperature.*
:name: fig_tutorial3_finitetemperature
:width: 600px

イジング模型の有限温度計算の図: (a) エネルギー、(b) 比熱、(c) :math:`m_x` 、(d) :math:`m_z`. 縦軸は物理量、横軸は温度を表す。
イジング模型の有限温度計算の図: (a) エネルギー、(b) 比熱、(c) 横磁化、(d) 縦磁化. 縦軸は物理量、横軸は温度を表す。
実線はTeNeSによる計算で、四角はDSQSS/dla によるQMC計算(縦磁化は対称性により0)。
6 changes: 2 additions & 4 deletions sample/03_finite_temperature/QMC/README.md
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QMC result for TFI model on a square lattice (32x32) by using ALPS/looper (https://github.com/wistaria/alps-looper).
QMC result for TFI model on a square lattice (32x32) by using DSQSS/dla (https://github.com/issp-center-dev/DSQSS).

``` bash
alpspython init_params.py
mpiexec -np 4 loop --mpi params.in.xml
alpspython extract.py
sh exec.sh
```
18 changes: 18 additions & 0 deletions sample/03_finite_temperature/QMC/common_param.in
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algfile = algorithm.xml
cfoutfile = cf.dat
ckoutfile = ck.dat
dispfile =
latfile = lattice.xml
ndecor = 100
nmcs = 1000
npre = 100
nsegmax = 1000000
nset = 1
ntau = 10
ntherm = 1000
nvermax = 1000000
outfile = sample.log
seed = 31415
sfoutfile = sf.dat
simulationtime = 0.0
wvfile =
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L32-G0.0.dat
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0.05 -4.99980181e-01 2.08808266e-05
0.1 -5.00003110e-01 2.96545797e-05
0.2 -4.99966568e-01 5.13604499e-05
0.3 -4.97107059e-01 8.39212834e-05
0.4 -4.82012323e-01 9.12329162e-05
0.5 -4.36350861e-01 8.83769241e-05
0.6 -3.03354382e-01 2.01619971e-04
0.7 -2.27019658e-01 1.24150843e-04
0.8 -1.86410413e-01 1.25981974e-04
0.9 -1.59029118e-01 1.16780148e-04
1.0 -1.39562195e-01 9.23542274e-05
1.25 -1.06985798e-01 8.50029530e-05
1.5 -8.72944107e-02 7.74591774e-05
1.75 -7.39227066e-02 7.53660220e-05
2.0 -6.42405701e-02 7.96274629e-05
5.0 -2.52030945e-02 6.24033826e-05
10.0 -1.25015259e-02 6.68657911e-05
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L32-G0.5.dat
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0.05 -5.31430835e-01 3.31061507e-05
0.1 -5.31394312e-01 3.63992937e-05
0.2 -5.31226657e-01 4.32862609e-05
0.3 -5.28012476e-01 5.25922840e-05
0.4 -5.10925217e-01 7.76729471e-05
0.5 -4.58354818e-01 1.54247706e-04
0.6 -3.36928873e-01 1.78395269e-04
0.7 -2.78432447e-01 1.61493743e-04
0.8 -2.39934241e-01 1.33767315e-04
0.9 -2.11651038e-01 1.38187205e-04
1.0 -1.89516632e-01 1.09982288e-04
1.25 -1.50984039e-01 1.24529590e-04
1.5 -1.25525562e-01 9.82966071e-05
1.75 -1.07453547e-01 9.00208045e-05
2.0 -9.39877153e-02 8.73243152e-05
5.0 -3.74733826e-02 7.36017406e-05
10.0 -1.87540266e-02 6.57126654e-05
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L32-G0.8.dat
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0.05 -5.81114926e-01 1.70643361e-05
0.1 -5.81145981e-01 2.68353352e-05
0.2 -5.80884629e-01 3.51128444e-05
0.3 -5.76567154e-01 5.08513351e-05
0.4 -5.55292787e-01 5.48940385e-05
0.5 -4.78773100e-01 1.04722910e-04
0.6 -4.04761223e-01 1.04822732e-04
0.7 -3.57959083e-01 9.57043577e-05
0.8 -3.21089846e-01 9.80739176e-05
0.9 -2.90714579e-01 8.20653260e-05
1.0 -2.65548583e-01 9.04088709e-05
1.25 -2.17393060e-01 9.01411865e-05
1.5 -1.83731674e-01 8.33648902e-05
1.75 -1.59042508e-01 7.59300549e-05
2.0 -1.39857034e-01 7.72090859e-05
5.0 -5.68680674e-02 7.56998423e-05
10.0 -2.84449526e-02 6.68387663e-05
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L32-G2.0.dat
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0.05 -1.03345703e+00 7.06985854e-06
0.1 -1.03346322e+00 9.72959368e-06
0.2 -1.03276249e+00 1.38597341e-05
0.3 -1.02804075e+00 1.99193726e-05
0.4 -1.01554407e+00 2.46899617e-05
0.5 -9.93844526e-01 3.43947472e-05
0.6 -9.64045760e-01 4.47763386e-05
0.7 -9.28539166e-01 5.06634628e-05
0.8 -8.89730230e-01 6.96461202e-05
0.9 -8.49493771e-01 7.10855210e-05
1.0 -8.09324722e-01 7.00970466e-05
1.25 -7.15135772e-01 9.92169286e-05
1.5 -6.33915674e-01 1.03120999e-04
1.75 -5.65613544e-01 1.05536566e-04
2.0 -5.08999047e-01 1.20128214e-04
5.0 -2.21063704e-01 1.01488077e-04
10.0 -1.12226557e-01 1.20685847e-04
22 changes: 0 additions & 22 deletions sample/03_finite_temperature/QMC/ene-L32-Gamma0.0.dat

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22 changes: 0 additions & 22 deletions sample/03_finite_temperature/QMC/ene-L32-Gamma0.5.dat

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22 changes: 0 additions & 22 deletions sample/03_finite_temperature/QMC/ene-L32-Gamma0.8.dat

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22 changes: 0 additions & 22 deletions sample/03_finite_temperature/QMC/ene-L32-Gamma2.0.dat

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17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L8-G0.0.dat
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0.05 -5.00159253e-01 9.30672920e-05
0.1 -4.99919629e-01 1.73495916e-04
0.2 -4.99966699e-01 1.96262455e-04
0.3 -4.96953369e-01 3.38002593e-04
0.4 -4.82328223e-01 3.41277155e-04
0.5 -4.36665527e-01 4.10691909e-04
0.6 -3.34785498e-01 6.19470441e-04
0.7 -2.39341040e-01 5.96309340e-04
0.8 -1.89738672e-01 4.21457202e-04
0.9 -1.60398413e-01 4.28087066e-04
1.0 -1.39659912e-01 3.72183185e-04
1.25 -1.06958008e-01 3.12345271e-04
1.5 -8.73702393e-02 3.27105457e-04
1.75 -7.41276245e-02 3.25074663e-04
2.0 -6.43027344e-02 3.00347681e-04
5.0 -2.53234863e-02 2.77028972e-04
10.0 -1.22290039e-02 2.80044680e-04
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L8-G0.5.dat
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0.05 -5.31454499e-01 8.54281036e-05
0.1 -5.31432644e-01 1.18530337e-04
0.2 -5.31289349e-01 2.03173374e-04
0.3 -5.28549420e-01 2.41107650e-04
0.4 -5.11348491e-01 3.29083853e-04
0.5 -4.59798041e-01 5.16815474e-04
0.6 -3.62041218e-01 6.19593875e-04
0.7 -2.85767047e-01 5.62401068e-04
0.8 -2.42802905e-01 4.96706454e-04
0.9 -2.12378125e-01 4.09047256e-04
1.0 -1.90220035e-01 3.77373724e-04
1.25 -1.50983882e-01 3.44847039e-04
1.5 -1.26196373e-01 3.68494618e-04
1.75 -1.07819052e-01 2.81221951e-04
2.0 -9.39651352e-02 3.41568846e-04
5.0 -3.79325171e-02 3.03999914e-04
10.0 -1.88213041e-02 2.98387343e-04
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L8-G0.8.dat
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0.05 -5.81154196e-01 6.20772088e-05
0.1 -5.81106430e-01 8.83811857e-05
0.2 -5.80738170e-01 1.29976198e-04
0.3 -5.76663062e-01 1.76245272e-04
0.4 -5.54957442e-01 2.61751546e-04
0.5 -4.94761460e-01 3.93833044e-04
0.6 -4.16909973e-01 3.27461293e-04
0.7 -3.61932343e-01 3.48490145e-04
0.8 -3.21627307e-01 3.72442810e-04
0.9 -2.91476424e-01 3.23326577e-04
1.0 -2.66141560e-01 3.38671619e-04
1.25 -2.17215784e-01 3.10803706e-04
1.5 -1.83834704e-01 3.33848313e-04
1.75 -1.59337535e-01 3.33318666e-04
2.0 -1.39913539e-01 3.31162655e-04
5.0 -5.70513522e-02 3.02868720e-04
10.0 -2.81830162e-02 2.62714585e-04
17 changes: 17 additions & 0 deletions sample/03_finite_temperature/QMC/ene-L8-G2.0.dat
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0.05 -1.03348751e+00 2.82680645e-05
0.1 -1.03349093e+00 3.78317265e-05
0.2 -1.03279105e+00 5.48501795e-05
0.3 -1.02791347e+00 7.23643031e-05
0.4 -1.01557787e+00 1.06438291e-04
0.5 -9.93989488e-01 1.39009610e-04
0.6 -9.64342065e-01 1.96901595e-04
0.7 -9.28454100e-01 2.26078050e-04
0.8 -8.89789497e-01 2.46143084e-04
0.9 -8.49259005e-01 3.00206531e-04
1.0 -8.09314753e-01 3.17427242e-04
1.25 -7.14924416e-01 2.99522282e-04
1.5 -6.33769324e-01 3.64199025e-04
1.75 -5.64987255e-01 4.83053399e-04
2.0 -5.08643406e-01 4.26461328e-04
5.0 -2.21293842e-01 4.69051261e-04
10.0 -1.11479559e-01 5.32677223e-04
24 changes: 24 additions & 0 deletions sample/03_finite_temperature/QMC/exec.sh
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for L in 8 32; do
for G in 0.0 0.5 0.8 2.0; do
file_ene=ene-L${L}-G${G}.dat
file_magx=magx-L${L}-G${G}.dat
file_spec=spec-L${L}-G${G}.dat
rm -f $file_ene
rm -f $file_magx
rm -f $file_spec

dla_alg -l lattice_L${L}.toml -h hamiltonian_G${G}.toml

for T in 0.05 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 1.25 1.5 1.75 2.0 5.0 10.0; do
cp common_param.in param.in
beta=`echo "1.0/$T" | bc -l`
echo "beta = $beta" >> param.in
srun dla param.in
output=sample-L${L}-G${G}-T${T}.log
mv sample.log $output
grep "ene" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_ene
grep "bmzu" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_magx
grep "spe" $output | awk --assign="T=$T" '{print T,$4,$5}' >> $file_spec
done
done
done
37 changes: 0 additions & 37 deletions sample/03_finite_temperature/QMC/extract.py

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