From e1096eefd83778008b286c517c1c3a8ea832fc50 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Fri, 20 Nov 2020 16:24:43 +0100 Subject: [PATCH] Update references after switching to libxc TPSS --- tests/ATOM/regtest-2/TEST_FILES | 2 +- tests/QS/regtest-gpw-2-3/TEST_FILES | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/ATOM/regtest-2/TEST_FILES b/tests/ATOM/regtest-2/TEST_FILES index a674587815..dc27dcdc12 100644 --- a/tests/ATOM/regtest-2/TEST_FILES +++ b/tests/ATOM/regtest-2/TEST_FILES @@ -8,7 +8,7 @@ H.inp 35 1e-12 He_1.inp 35 1e-12 -1.399307796698 He_2.inp 35 1e-12 -1.336212351224 He_3.inp 35 1e-12 -1.416270865184 -He_4.inp 35 1e-12 -1.344280962964 +He_4.inp 35 1e-12 -1.344281337758 He_5.inp 35 1e-11 -1.408879880895 F_1.inp 35 1e-12 -24.171954774816 F_2.inp 35 1e-12 -24.171954774816 diff --git a/tests/QS/regtest-gpw-2-3/TEST_FILES b/tests/QS/regtest-gpw-2-3/TEST_FILES index da2da308d3..066eeb87dd 100644 --- a/tests/QS/regtest-gpw-2-3/TEST_FILES +++ b/tests/QS/regtest-gpw-2-3/TEST_FILES @@ -21,5 +21,5 @@ Au13ico_mtd.inp 1 5e-13 - Au12_rmsd_AB_mtd.inp 1 3e-11 -397.79481882168199 Au12_rmsd_A_mtd.inp 1 2e-11 -397.77606915975093 # tpss new input -H2O-tpss_lsd.inp 1 3e-13 -34.34058398103720 +H2O-tpss_lsd.inp 1 3e-13 -34.34060245665712 #EOF