From ecdb420c746527aada3d4821942c892e2fd51356 Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Thu, 10 Oct 2024 16:02:15 +0900 Subject: [PATCH 1/2] update reference data --- tests/integration/potts/ref_energy.dat | 8 ++++---- tests/integration/potts/ref_logZ.dat | 6 +++--- tests/integration/potts/ref_magnetization.dat | 8 ++++---- 3 files changed, 11 insertions(+), 11 deletions(-) diff --git a/tests/integration/potts/ref_energy.dat b/tests/integration/potts/ref_energy.dat index 5c7cd3f9..2848e23c 100644 --- a/tests/integration/potts/ref_energy.dat +++ b/tests/integration/potts/ref_energy.dat @@ -5,7 +5,7 @@ # $5: ERROR of # $6: - ^2 # $7: ERROR of - ^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 index 65151e8e..28259605 100644 --- 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 index 25197c96..ddf5b2e6 100644 --- a/tests/integration/potts/ref_magnetization.dat +++ b/tests/integration/potts/ref_magnetization.dat @@ -5,7 +5,7 @@ # $5: ERROR of # $6: - ^2 # $7: ERROR of - ^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 From c035b517a2fa0542fb8e39e8b633be2e68f05150 Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Thu, 10 Oct 2024 16:12:13 +0900 Subject: [PATCH 2/2] use old ruamel.yaml for python3.7 --- pyproject.toml | 1 + 1 file changed, 1 insertion(+) diff --git a/pyproject.toml b/pyproject.toml index 91476e01..233ba3cc 100644 --- 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]