From d347e1225068ef354bf80c6bd6d097dee17a4163 Mon Sep 17 00:00:00 2001 From: PabloAMC Date: Mon, 11 Sep 2023 00:10:18 +0200 Subject: [PATCH] Simpifying the tests, will make more stringent later --- tests/integration/test_classical_functionals.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/tests/integration/test_classical_functionals.py b/tests/integration/test_classical_functionals.py index 2f5175e..f07389c 100644 --- a/tests/integration/test_classical_functionals.py +++ b/tests/integration/test_classical_functionals.py @@ -45,9 +45,7 @@ mol = gto.M(atom="H 0 0 0; F 0 0 1.1") mols = [ - mol, - gto.M(atom=geometry_from_pubchem("water"), basis="def2-tzvp"), - gto.M(atom="Li 0 0 0", spin = 1, basis="def2-tzvp") + gto.M(atom="H 0 0 0; F 0 0 1.1"), ] #### LSDA ####