Merge pull request #94 from issp-center-dev/use_DSQSS_as_reference

use DSQSS/DLA for preparing reference QMC data of sample

docs/sphinx/en/tutorial/03_finite_temperature.rst

@@ -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).

docs/sphinx/ja/tutorial/03_finite_temperature.rst

@@ -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）。

sample/03_finite_temperature/QMC/README.md

@@ -1,7 +1,5 @@
-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
 ```

sample/03_finite_temperature/QMC/common_param.in

@@ -0,0 +1,18 @@
+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 = 

sample/03_finite_temperature/QMC/ene-L32-G0.0.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L32-G0.5.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L32-G0.8.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L32-G2.0.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L8-G0.0.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L8-G0.5.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L8-G0.8.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/ene-L8-G2.0.dat

@@ -0,0 +1,17 @@
+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

sample/03_finite_temperature/QMC/exec.sh

@@ -0,0 +1,24 @@
+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