diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 2e2413343b6e7d684ecba986c5c899832f947eb6..ea0fcd2c6487d12d590b40027272f7d25dadf384 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -51,6 +51,10 @@ build-release-shared:
- cmake .. -DCMAKE_BUILD_TYPE=Release -DTADAH_ENABLE_OPENMP=ON -DCMAKE_INSTALL_PREFIX=${INSTALL_PATH}
- make -j ${CPU_BUILD}
- make install
+ artifacts:
+ paths:
+ - $INSTALL_PATH
+
build-release-static:
stage: build.release
@@ -59,6 +63,9 @@ build-release-static:
- cmake .. -DCMAKE_BUILD_TYPE=Release -DTADAH_ENABLE_OPENMP=ON -DBUILD_SHARED_LIBS=OFF -DCMAKE_INSTALL_PREFIX=${INSTALL_PATH}
- make -j ${CPU_BUILD}
- make install
+ artifacts:
+ paths:
+ - $INSTALL_PATH
run-func-tests-shared:
stage: run.functional.tests
@@ -109,3 +116,59 @@ build-example-2-shared:
script:
- cd ${RELEASE_DIR}/examples/ex_2
- g++ -O3 ex2.cpp -ltadah -llapack -fopenmp
+
+run-example-1-static:
+ stage: run.examples
+ needs: [build-example-1-static]
+ script:
+ - cd ${RELEASE_DIR}/examples/ex_1
+ - ./a.out
+ - diff energy.pred EXPECTED_OUTPUT/energy.pred
+ - if $? -ne 0 ]; then exit 1; fi
+ - diff stress.pred EXPECTED_OUTPUT/stress.pred
+ - if $? -ne 0 ]; then exit 2; fi
+ - diff forces.pred EXPECTED_OUTPUT/forces.pred
+ - if $? -ne 0 ]; then exit 3; fi
+ - echo "Success"
+
+run-example-2-static:
+ stage: run.examples
+ needs: [build-example-2-static]
+ script:
+ - cd ${RELEASE_DIR}/examples/ex_2
+ - ./a.out
+ - diff energy.pred EXPECTED_OUTPUT/energy.pred
+ - if $? -ne 0 ]; then exit 1; fi
+ - diff stress.pred EXPECTED_OUTPUT/stress.pred
+ - if $? -ne 0 ]; then exit 2; fi
+ - diff forces.pred EXPECTED_OUTPUT/forces.pred
+ - if $? -ne 0 ]; then exit 3; fi
+ - echo "Success"
+
+run-example-1-shared:
+ stage: run.examples
+ needs: [build-example-1-shared]
+ script:
+ - cd ${RELEASE_DIR}/examples/ex_1
+ - ./a.out
+ - diff energy.pred EXPECTED_OUTPUT/energy.pred
+ - if $? -ne 0 ]; then exit 1; fi
+ - diff stress.pred EXPECTED_OUTPUT/stress.pred
+ - if $? -ne 0 ]; then exit 2; fi
+ - diff forces.pred EXPECTED_OUTPUT/forces.pred
+ - if $? -ne 0 ]; then exit 3; fi
+ - echo "Success"
+
+run-example-2-shared:
+ stage: run.examples
+ needs: [build-example-2-shared]
+ script:
+ - cd ${RELEASE_DIR}/examples/ex_2
+ - ./a.out
+ - diff energy.pred EXPECTED_OUTPUT/energy.pred
+ - if $? -ne 0 ]; then exit 1; fi
+ - diff stress.pred EXPECTED_OUTPUT/stress.pred
+ - if $? -ne 0 ]; then exit 2; fi
+ - diff forces.pred EXPECTED_OUTPUT/forces.pred
+ - if $? -ne 0 ]; then exit 3; fi
+ - echo "Success"
diff --git a/examples/ex_1/EXPECTED_OUTPUT/energy.pred b/examples/ex_1/EXPECTED_OUTPUT/energy.pred
new file mode 100644
index 0000000000000000000000000000000000000000..6aed58c51738c942c51b1e2d7a1b50679630fd16
--- /dev/null
+++ b/examples/ex_1/EXPECTED_OUTPUT/energy.pred
@@ -0,0 +1,10002 @@
+Index True Energy Pred Energy
+ 0 -8.04620e+00 -8.05287e+00
+ 1 -8.03821e+00 -8.03582e+00
+ 2 -8.02021e+00 -8.00772e+00
+ 3 -8.04117e+00 -8.03805e+00
+ 4 -8.04088e+00 -8.04131e+00
+ 5 -8.04237e+00 -8.04742e+00
+ 6 -8.03478e+00 -8.02903e+00
+ 7 -8.03845e+00 -8.03328e+00
+ 8 -8.03356e+00 -8.02792e+00
+ 9 -8.03650e+00 -8.03269e+00
+ 10 -8.02384e+00 -8.01270e+00
+ 11 -8.03000e+00 -8.02597e+00
+ 12 -8.03323e+00 -8.02668e+00
+ 13 -8.03690e+00 -8.03497e+00
+ 14 -8.03372e+00 -8.02783e+00
+ 15 -8.02725e+00 -8.01625e+00
+ 16 -8.02377e+00 -8.01396e+00
+ 17 -8.04191e+00 -8.04112e+00
+ 18 -8.03929e+00 -8.04019e+00
+ 19 -8.02898e+00 -8.02272e+00
+ 20 -8.02018e+00 -8.00281e+00
+ 21 -8.02646e+00 -8.01514e+00
+ 22 -8.04156e+00 -8.04186e+00
+ 23 -8.03942e+00 -8.03912e+00
+ 24 -8.01906e+00 -8.00701e+00
+ 25 -8.03279e+00 -8.02841e+00
+ 26 -8.03325e+00 -8.02731e+00
+ 27 -8.02196e+00 -8.01282e+00
+ 28 -8.01571e+00 -8.00163e+00
+ 29 -8.03816e+00 -8.03872e+00
+ 30 -8.03431e+00 -8.03231e+00
+ 31 -8.03682e+00 -8.03089e+00
+ 32 -8.04084e+00 -8.03902e+00
+ 33 -8.03020e+00 -8.02388e+00
+ 34 -8.03065e+00 -8.02202e+00
+ 35 -8.04287e+00 -8.04451e+00
+ 36 -8.03278e+00 -8.02859e+00
+ 37 -8.03471e+00 -8.03167e+00
+ 38 -8.03751e+00 -8.03153e+00
+ 39 -8.03140e+00 -8.02560e+00
+ 40 -8.02940e+00 -8.02472e+00
+ 41 -8.03311e+00 -8.02828e+00
+ 42 -8.03617e+00 -8.03434e+00
+ 43 -8.02368e+00 -8.01669e+00
+ 44 -8.02643e+00 -8.01679e+00
+ 45 -8.03413e+00 -8.02803e+00
+ 46 -8.03793e+00 -8.03931e+00
+ 47 -8.04392e+00 -8.04731e+00
+ 48 -8.03931e+00 -8.04223e+00
+ 49 -8.01929e+00 -8.00858e+00
+ 50 -8.04226e+00 -8.04280e+00
+ 51 -8.04190e+00 -8.04431e+00
+ 52 -8.04251e+00 -8.04419e+00
+ 53 -8.03374e+00 -8.02947e+00
+ 54 -8.02878e+00 -8.02240e+00
+ 55 -8.02283e+00 -8.00887e+00
+ 56 -8.04598e+00 -8.04643e+00
+ 57 -8.03527e+00 -8.03364e+00
+ 58 -8.02281e+00 -8.01102e+00
+ 59 -8.03410e+00 -8.02812e+00
+ 60 -8.03361e+00 -8.02949e+00
+ 61 -8.01855e+00 -8.00311e+00
+ 62 -8.03629e+00 -8.03002e+00
+ 63 -8.02924e+00 -8.02260e+00
+ 64 -8.03610e+00 -8.03067e+00
+ 65 -8.03545e+00 -8.03042e+00
+ 66 -8.04319e+00 -8.04457e+00
+ 67 -8.03586e+00 -8.03071e+00
+ 68 -8.04436e+00 -8.04814e+00
+ 69 -8.02402e+00 -8.01331e+00
+ 70 -8.02919e+00 -8.02001e+00
+ 71 -8.03799e+00 -8.03609e+00
+ 72 -8.04469e+00 -8.05129e+00
+ 73 -8.03323e+00 -8.02500e+00
+ 74 -8.02701e+00 -8.01309e+00
+ 75 -8.03273e+00 -8.02562e+00
+ 76 -8.03957e+00 -8.03691e+00
+ 77 -8.03256e+00 -8.02626e+00
+ 78 -8.02824e+00 -8.02319e+00
+ 79 -8.01990e+00 -8.00010e+00
+ 80 -8.02600e+00 -8.01518e+00
+ 81 -8.02750e+00 -8.01637e+00
+ 82 -8.04402e+00 -8.04549e+00
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+ 88 -8.03571e+00 -8.03302e+00
+ 89 -8.02595e+00 -8.01709e+00
+ 90 -8.03038e+00 -8.02263e+00
+ 91 -8.04214e+00 -8.04197e+00
+ 92 -8.03058e+00 -8.02403e+00
+ 93 -8.03121e+00 -8.02837e+00
+ 94 -8.03462e+00 -8.02906e+00
+ 95 -8.05107e+00 -8.05401e+00
+ 96 -8.04152e+00 -8.03847e+00
+ 97 -8.03284e+00 -8.02780e+00
+ 98 -8.03679e+00 -8.03613e+00
+ 99 -8.03718e+00 -8.03727e+00
+ 100 -8.03288e+00 -8.02948e+00
+ 101 -8.02005e+00 -8.00377e+00
+ 102 -8.01816e+00 -8.00156e+00
+ 103 -8.03643e+00 -8.04008e+00
+ 104 -8.02893e+00 -8.02223e+00
+ 105 -8.02734e+00 -8.01334e+00
+ 106 -8.03560e+00 -8.03275e+00
+ 107 -8.03776e+00 -8.03894e+00
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+ 132 -8.03824e+00 -8.03676e+00
+ 133 -8.03149e+00 -8.02796e+00
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+ 141 -8.02991e+00 -8.02224e+00
+ 142 -8.03251e+00 -8.02516e+00
+ 143 -8.02430e+00 -8.01398e+00
+ 144 -8.03586e+00 -8.03352e+00
+ 145 -8.02812e+00 -8.01884e+00
+ 146 -8.02430e+00 -8.00920e+00
+ 147 -8.02133e+00 -8.00997e+00
+ 148 -8.02439e+00 -8.00961e+00
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+ 150 -8.02770e+00 -8.01849e+00
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+ 158 -8.04299e+00 -8.04214e+00
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diff --git a/examples/ex_1/EXPECTED_OUTPUT/forces.pred b/examples/ex_1/EXPECTED_OUTPUT/forces.pred
new file mode 100644
index 0000000000000000000000000000000000000000..569a25bd26c1fe370df4c4b90d0a01d25375b5c6
Binary files /dev/null and b/examples/ex_1/EXPECTED_OUTPUT/forces.pred differ
diff --git a/examples/ex_1/EXPECTED_OUTPUT/stress.pred b/examples/ex_1/EXPECTED_OUTPUT/stress.pred
new file mode 100644
index 0000000000000000000000000000000000000000..5229e3162871204d32f8a7c13dedbc1a164f9b4e
--- /dev/null
+++ b/examples/ex_1/EXPECTED_OUTPUT/stress.pred
@@ -0,0 +1,60007 @@
+Index True Stress Pred Stress
+ 0 1.62047e+01 1.60248e+01
+ 1 5.13843e-01 3.24406e-01
+ 2 -4.13741e-01 -5.44609e-01
+ 3 1.76650e+01 1.80942e+01
+ 4 1.33194e-01 2.54728e-01
+ 5 1.67776e+01 1.64985e+01
+ 6 1.54901e+01 1.46523e+01
+ 7 1.22029e-01 -7.27273e-02
+ 8 1.94236e-01 1.91726e-01
+ 9 1.74488e+01 1.80250e+01
+ 10 5.61139e-01 7.92776e-01
+ 11 1.52010e+01 1.43612e+01
+ 12 1.40249e+01 1.28862e+01
+ 13 5.08300e-01 1.19864e+00
+ 14 -1.25160e-01 -1.91918e-01
+ 15 1.73524e+01 1.84991e+01
+ 16 5.32496e-01 -1.21914e-01
+ 17 1.48136e+01 1.47373e+01
+ 18 1.67745e+01 1.62612e+01
+ 19 -7.50136e-01 -5.13542e-01
+ 20 -5.32000e-02 7.26540e-02
+ 21 1.71805e+01 1.71979e+01
+ 22 3.52950e-02 2.88347e-01
+ 23 1.59020e+01 1.55164e+01
+ 24 1.55054e+01 1.50520e+01
+ 25 3.86693e-01 9.47126e-01
+ 26 -2.80244e-01 -2.71879e-01
+ 27 1.70540e+01 1.67025e+01
+ 28 3.22433e-01 2.31257e-01
+ 29 1.64041e+01 1.61947e+01
+ 30 1.57138e+01 1.49788e+01
+ 31 4.01191e-01 1.09057e-01
+ 32 3.20347e-01 6.23764e-01
+ 33 1.75213e+01 1.77817e+01
+ 34 -4.27637e-01 -5.81587e-01
+ 35 1.65772e+01 1.61635e+01
+ 36 1.54130e+01 1.54966e+01
+ 37 3.84910e-01 5.67005e-02
+ 38 1.52297e-01 -9.20545e-02
+ 39 1.61844e+01 1.68616e+01
+ 40 5.24619e-01 1.23861e+00
+ 41 1.67856e+01 1.73419e+01
+ 42 1.54133e+01 1.46423e+01
+ 43 2.00648e-01 2.33158e-01
+ 44 1.53850e-02 -3.87851e-01
+ 45 1.64272e+01 1.60322e+01
+ 46 1.76046e-01 4.28534e-01
+ 47 1.66855e+01 1.63491e+01
+ 48 1.57531e+01 1.52847e+01
+ 49 1.69901e-01 7.28579e-01
+ 50 6.11952e-01 2.19783e-01
+ 51 1.56686e+01 1.49708e+01
+ 52 -4.69842e-01 -7.42354e-01
+ 53 1.69618e+01 1.76085e+01
+ 54 1.68535e+01 1.69816e+01
+ 55 7.50214e-01 6.96567e-01
+ 56 6.86869e-01 3.98662e-01
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+60003 1.60023e+01 1.65570e+01
+60004 8.07030e-02 3.11774e-01
+60005 1.48428e+01 1.47675e+01
diff --git a/examples/ex_2/EXPECTED_OUTPUT/energy.pred b/examples/ex_2/EXPECTED_OUTPUT/energy.pred
new file mode 100644
index 0000000000000000000000000000000000000000..6aed58c51738c942c51b1e2d7a1b50679630fd16
--- /dev/null
+++ b/examples/ex_2/EXPECTED_OUTPUT/energy.pred
@@ -0,0 +1,10002 @@
+Index True Energy Pred Energy
+ 0 -8.04620e+00 -8.05287e+00
+ 1 -8.03821e+00 -8.03582e+00
+ 2 -8.02021e+00 -8.00772e+00
+ 3 -8.04117e+00 -8.03805e+00
+ 4 -8.04088e+00 -8.04131e+00
+ 5 -8.04237e+00 -8.04742e+00
+ 6 -8.03478e+00 -8.02903e+00
+ 7 -8.03845e+00 -8.03328e+00
+ 8 -8.03356e+00 -8.02792e+00
+ 9 -8.03650e+00 -8.03269e+00
+ 10 -8.02384e+00 -8.01270e+00
+ 11 -8.03000e+00 -8.02597e+00
+ 12 -8.03323e+00 -8.02668e+00
+ 13 -8.03690e+00 -8.03497e+00
+ 14 -8.03372e+00 -8.02783e+00
+ 15 -8.02725e+00 -8.01625e+00
+ 16 -8.02377e+00 -8.01396e+00
+ 17 -8.04191e+00 -8.04112e+00
+ 18 -8.03929e+00 -8.04019e+00
+ 19 -8.02898e+00 -8.02272e+00
+ 20 -8.02018e+00 -8.00281e+00
+ 21 -8.02646e+00 -8.01514e+00
+ 22 -8.04156e+00 -8.04186e+00
+ 23 -8.03942e+00 -8.03912e+00
+ 24 -8.01906e+00 -8.00701e+00
+ 25 -8.03279e+00 -8.02841e+00
+ 26 -8.03325e+00 -8.02731e+00
+ 27 -8.02196e+00 -8.01282e+00
+ 28 -8.01571e+00 -8.00163e+00
+ 29 -8.03816e+00 -8.03872e+00
+ 30 -8.03431e+00 -8.03231e+00
+ 31 -8.03682e+00 -8.03089e+00
+ 32 -8.04084e+00 -8.03902e+00
+ 33 -8.03020e+00 -8.02388e+00
+ 34 -8.03065e+00 -8.02202e+00
+ 35 -8.04287e+00 -8.04451e+00
+ 36 -8.03278e+00 -8.02859e+00
+ 37 -8.03471e+00 -8.03167e+00
+ 38 -8.03751e+00 -8.03153e+00
+ 39 -8.03140e+00 -8.02560e+00
+ 40 -8.02940e+00 -8.02472e+00
+ 41 -8.03311e+00 -8.02828e+00
+ 42 -8.03617e+00 -8.03434e+00
+ 43 -8.02368e+00 -8.01669e+00
+ 44 -8.02643e+00 -8.01679e+00
+ 45 -8.03413e+00 -8.02803e+00
+ 46 -8.03793e+00 -8.03931e+00
+ 47 -8.04392e+00 -8.04731e+00
+ 48 -8.03931e+00 -8.04223e+00
+ 49 -8.01929e+00 -8.00858e+00
+ 50 -8.04226e+00 -8.04280e+00
+ 51 -8.04190e+00 -8.04431e+00
+ 52 -8.04251e+00 -8.04419e+00
+ 53 -8.03374e+00 -8.02947e+00
+ 54 -8.02878e+00 -8.02240e+00
+ 55 -8.02283e+00 -8.00887e+00
+ 56 -8.04598e+00 -8.04643e+00
+ 57 -8.03527e+00 -8.03364e+00
+ 58 -8.02281e+00 -8.01102e+00
+ 59 -8.03410e+00 -8.02812e+00
+ 60 -8.03361e+00 -8.02949e+00
+ 61 -8.01855e+00 -8.00311e+00
+ 62 -8.03629e+00 -8.03002e+00
+ 63 -8.02924e+00 -8.02260e+00
+ 64 -8.03610e+00 -8.03067e+00
+ 65 -8.03545e+00 -8.03042e+00
+ 66 -8.04319e+00 -8.04457e+00
+ 67 -8.03586e+00 -8.03071e+00
+ 68 -8.04436e+00 -8.04814e+00
+ 69 -8.02402e+00 -8.01331e+00
+ 70 -8.02919e+00 -8.02001e+00
+ 71 -8.03799e+00 -8.03609e+00
+ 72 -8.04469e+00 -8.05129e+00
+ 73 -8.03323e+00 -8.02500e+00
+ 74 -8.02701e+00 -8.01309e+00
+ 75 -8.03273e+00 -8.02562e+00
+ 76 -8.03957e+00 -8.03691e+00
+ 77 -8.03256e+00 -8.02626e+00
+ 78 -8.02824e+00 -8.02319e+00
+ 79 -8.01990e+00 -8.00010e+00
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+ 84 -8.03186e+00 -8.02622e+00
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+ 91 -8.04214e+00 -8.04197e+00
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+ 93 -8.03121e+00 -8.02837e+00
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+ 95 -8.05107e+00 -8.05401e+00
+ 96 -8.04152e+00 -8.03847e+00
+ 97 -8.03284e+00 -8.02780e+00
+ 98 -8.03679e+00 -8.03613e+00
+ 99 -8.03718e+00 -8.03727e+00
+ 100 -8.03288e+00 -8.02948e+00
+ 101 -8.02005e+00 -8.00377e+00
+ 102 -8.01816e+00 -8.00156e+00
+ 103 -8.03643e+00 -8.04008e+00
+ 104 -8.02893e+00 -8.02223e+00
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+ 141 -8.02991e+00 -8.02224e+00
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+ 192 -8.03759e+00 -8.03530e+00
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diff --git a/examples/ex_2/EXPECTED_OUTPUT/forces.pred b/examples/ex_2/EXPECTED_OUTPUT/forces.pred
new file mode 100644
index 0000000000000000000000000000000000000000..b89fc6863444e1b925fe0307249ae7fdd944e2da
Binary files /dev/null and b/examples/ex_2/EXPECTED_OUTPUT/forces.pred differ
diff --git a/examples/ex_2/EXPECTED_OUTPUT/stress.pred b/examples/ex_2/EXPECTED_OUTPUT/stress.pred
new file mode 100644
index 0000000000000000000000000000000000000000..ce16f48320743235d18ea600c37d7332923ffbc6
--- /dev/null
+++ b/examples/ex_2/EXPECTED_OUTPUT/stress.pred
@@ -0,0 +1,60007 @@
+Index True Stress Pred Stress
+ 0 1.62047e+01 1.60248e+01
+ 1 5.13843e-01 3.24406e-01
+ 2 -4.13741e-01 -5.44609e-01
+ 3 1.76650e+01 1.80942e+01
+ 4 1.33194e-01 2.54728e-01
+ 5 1.67776e+01 1.64985e+01
+ 6 1.54901e+01 1.46523e+01
+ 7 1.22029e-01 -7.27273e-02
+ 8 1.94236e-01 1.91726e-01
+ 9 1.74488e+01 1.80250e+01
+ 10 5.61139e-01 7.92776e-01
+ 11 1.52010e+01 1.43612e+01
+ 12 1.40249e+01 1.28862e+01
+ 13 5.08300e-01 1.19864e+00
+ 14 -1.25160e-01 -1.91918e-01
+ 15 1.73524e+01 1.84991e+01
+ 16 5.32496e-01 -1.21914e-01
+ 17 1.48136e+01 1.47373e+01
+ 18 1.67745e+01 1.62612e+01
+ 19 -7.50136e-01 -5.13542e-01
+ 20 -5.32000e-02 7.26540e-02
+ 21 1.71805e+01 1.71979e+01
+ 22 3.52950e-02 2.88347e-01
+ 23 1.59020e+01 1.55164e+01
+ 24 1.55054e+01 1.50520e+01
+ 25 3.86693e-01 9.47126e-01
+ 26 -2.80244e-01 -2.71879e-01
+ 27 1.70540e+01 1.67025e+01
+ 28 3.22433e-01 2.31257e-01
+ 29 1.64041e+01 1.61947e+01
+ 30 1.57138e+01 1.49788e+01
+ 31 4.01191e-01 1.09057e-01
+ 32 3.20347e-01 6.23764e-01
+ 33 1.75213e+01 1.77817e+01
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+ 35 1.65772e+01 1.61635e+01
+ 36 1.54130e+01 1.54966e+01
+ 37 3.84910e-01 5.67005e-02
+ 38 1.52297e-01 -9.20545e-02
+ 39 1.61844e+01 1.68616e+01
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+ 46 1.76046e-01 4.28534e-01
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+ 48 1.57531e+01 1.52847e+01
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