23 lines
827 B
Diff
23 lines
827 B
Diff
From 7bff1111840d261ed7ae4985150ef8c36ed3ea58 Mon Sep 17 00:00:00 2001
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From: Christoph Junghans <junghans@votca.org>
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Date: Fri, 3 Feb 2023 19:57:27 -0700
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Subject: [PATCH] increase tolerance for diabatization test
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---
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CHANGELOG.rst | 2 ++
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xtp/src/tests/test_diabatization.cc | 2 +-
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2 files changed, 3 insertions(+), 1 deletion(-)
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diff --git a/xtp/src/tests/test_diabatization.cc b/xtp/src/tests/test_diabatization.cc
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index d2ac16c10e..891d065b90 100644
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--- a/xtp/src/tests/test_diabatization.cc
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+++ b/xtp/src/tests/test_diabatization.cc
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@@ -237,7 +237,7 @@ BOOST_AUTO_TEST_CASE(FCD_coupling_test) {
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double J_ref = 0.00071879817182406039;
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double J = coupling * votca::tools::conv::hrt2ev;
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- BOOST_CHECK_CLOSE(J_ref, J, 1e-4);
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+ BOOST_CHECK_CLOSE(J_ref, J, 1e-3);
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libint2::finalize();
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}
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