Merge pull request #69 from issp-center-dev/fix_tests

Fix tests
issp-center-dev · Oct 10, 2024 · e1c9328 · e1c9328
2 parents 7bbfa56 + c035b51
commit e1c9328
Show file tree

Hide file tree

Showing 4 changed files with 12 additions and 11 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -20,6 +20,7 @@ scipy = "^1"
 mpi4py = "^3"
 pymatgen = ">=2019.12.3 <2023.5.8"
 qe_tools = "^1.1"
+"ruamel.yaml" = { version = "<0.18.0", python = "<3.8" }
 
 [tool.poetry.extras]
 

diff --git a/tests/integration/potts/ref_energy.dat b/tests/integration/potts/ref_energy.dat
@@ -5,7 +5,7 @@
 # $5: ERROR of <energy^2>
 # $6: <energy^2> - <energy>^2
 # $7: ERROR of <energy^2> - <energy>^2
-1.0 -121.0625 1.157644366231726 14696.375 275.89434460687335 40.204214360041306 9.082645128650052
-1.0666666666666667 -115.6875 1.404939628240673 13442.875 318.7984326918572 59.21566077003126 13.030986814164445
-1.1333333333333333 -115.1875 1.2703596875263272 13316.625 293.70650739640195 48.41441207075968 10.611960551204579
-1.2 -107.375 1.88633841944501 11636.25 408.07323973845035 106.74817898022957 23.036888483676954
+1.0 -121.0625 1.157644366231726 14696.375 275.89434460687335 41.54435483871771 9.082645128650052
+1.0666666666666667 -115.6875 1.404939628240673 13442.875 318.7984326918572 61.1895161290272 13.030986814164445
+1.1333333333333333 -115.1875 1.2703596875263272 13316.625 293.70650739640195 50.02822580645352 10.611960551204579
+1.2 -107.375 1.88633841944501 11636.25 408.07323973845035 110.30645161289067 23.036888483676954
diff --git a/tests/integration/potts/ref_logZ.dat b/tests/integration/potts/ref_logZ.dat
@@ -4,6 +4,6 @@
 # $4: log(Z/Z')
 # $5: ERROR of log(Z/Z')
 1.2 0.0 0.0 0.0 0.0
-1.1333333333333333 5.392297315566768 0.0949839989301199 5.392297315566768 0.0949839989301199
-1.0666666666666667 11.81848769507403 0.1661080584748836 6.426190379507261 0.07112405954476371
-1.0 19.152901161314094 0.2420201058363595 7.334413466240065 0.07591204736147589
+1.1333333333333333 5.396926635579163 0.0949839989301199 5.396926635579163 0.0949839989301199
+1.0666666666666667 11.825718404332694 0.1661080584748836 6.4287917687535305 0.07112405954476371
+1.0 19.16310179605473 0.2420201058363595 7.337383391722035 0.07591204736147589
diff --git a/tests/integration/potts/ref_magnetization.dat b/tests/integration/potts/ref_magnetization.dat
@@ -5,7 +5,7 @@
 # $5: ERROR of <magnetization^2>
 # $6: <magnetization^2> - <magnetization>^2
 # $7: ERROR of <magnetization^2> - <magnetization>^2
-1.0 0.08544921875 0.0838755244302223 0.21857452392578125 0.0055440665964392325 0.21105310795334464 0.015822919631098366
-1.0666666666666667 0.12939453125 0.07483218893427532 0.18491363525390625 0.009329988734055125 0.16799569502085188 0.021671563105884212
-1.1333333333333333 0.21142578125 0.06889951126688247 0.18726348876953125 0.007112425938934922 0.1424142795844583 0.030862950012829623
-1.2 -0.271484375 0.04249293865788807 0.1279296875 0.012908371545344579 0.054169495073491225 0.02015089144951152
+1.0 0.08544921875 0.0838755244302223 0.21857452392578125 0.0055440665964392325 0.21808821155179192 0.015822919631098366
+1.0666666666666667 0.12939453125 0.07483218893427532 0.18491363525390625 0.009329988734055125 0.17359555152154993 0.021671563105884212
+1.1333333333333333 0.21142578125 0.06889951126688247 0.18726348876953125 0.007112425938934922 0.14716142223727413 0.030862950012829623
+1.2 -0.271484375 0.04249293865788807 0.1279296875 0.012908371545344579 0.05597514490927402 0.02015089144951152