From d6d3d42b540bb1dba9bf8257a1b523a5c678c35e Mon Sep 17 00:00:00 2001 From: Xavier Andrade Date: Mon, 16 Dec 2024 13:47:58 -0800 Subject: [PATCH] Updated the current unit test. --- src/observables/current.hpp | 42 ++++++++++++++++++------------------- 1 file changed, 21 insertions(+), 21 deletions(-) diff --git a/src/observables/current.hpp b/src/observables/current.hpp index ef1f7edea..358fcc284 100644 --- a/src/observables/current.hpp +++ b/src/observables/current.hpp @@ -193,17 +193,17 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) { auto cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == 125.4365980468_a); - CHECK(cur[1] == 5.708830041_a); - CHECK(cur[2] == 116.8317675488_a); + CHECK(cur[0] == 125.0726107094_a); + CHECK(cur[1] == 4.7292765308_a); + CHECK(cur[2] == 116.5420097097_a); ham.uniform_vector_potential() = vector3{1.0, -2.0, 3.0}; cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == 87.3634379355_a); - CHECK(cur[1] == 81.8624161924_a); - CHECK(cur[2] == 2.7621022916_a); + CHECK(cur[0] == 87.0638041144_a); + CHECK(cur[1] == 80.6922069845_a); + CHECK(cur[2] == 2.5258837095_a); } @@ -223,9 +223,9 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) { cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == -13946.6008146884_a); - CHECK(cur[1] == 27893.1545901583_a); - CHECK(cur[2] == -41839.3257665369_a); + CHECK(cur[0] == -13655.6186604198_a); + CHECK(cur[1] == 27311.2419971710_a); + CHECK(cur[2] == -40966.6831884187_a); } } @@ -244,17 +244,17 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) { auto cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == 65.7213690610_a); - CHECK(cur[1] == -53.8899219217_a); - CHECK(cur[2] == 57.1274385904_a); + CHECK(cur[0] == 65.3579017395_a); + CHECK(cur[1] == -54.9266021369_a); + CHECK(cur[2] == 56.8453806312_a); ham.uniform_vector_potential() = vector3{1.0, -2.0, 3.0}; cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == 27.6768119377_a); - CHECK(cur[1] == 22.2401572043_a); - CHECK(cur[2] == -56.9484342345_a); + CHECK(cur[0] == 27.3599465174_a); + CHECK(cur[1] == 21.0517395749_a); + CHECK(cur[2] == -57.1448517995_a); } @@ -266,17 +266,17 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) { auto cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == -21918.1030676834_a); - CHECK(cur[1] == -21918.0591750074_a); - CHECK(cur[2] == -21917.8247537255_a); + CHECK(cur[0] == -21452.9748736864_a); + CHECK(cur[1] == -21453.0100725570_a); + CHECK(cur[2] == -21452.8830570262_a); ham.uniform_vector_potential() = vector3{1.0, -2.0, 3.0}; cur = observables::current(ions, electrons, ham); - CHECK(cur[0] == -35804.3953857591_a); - CHECK(cur[1] == 5977.6646234487_a); - CHECK(cur[2] == -63658.5829715723_a); + CHECK(cur[0] == -35093.1574770241_a); + CHECK(cur[1] == 5859.0105019392_a); + CHECK(cur[2] == -62394.5776586859_a); } }