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--- ./tests/dmrg/caspt2-n2/input.dat.orig 2016-09-23 21:52:13.874684018 +0200
+++ ./tests/dmrg/caspt2-n2/input.dat 2016-09-23 21:58:45.226670772 +0200
@@ -13,8 +13,8 @@
set dmrg_irrep 0
set dmrg_multiplicity 1
-set restricted_docc [ 1 , 0 , 0 , 0 , 0 , 1 , 0 , 0 ]
-set active [ 4 , 0 , 1 , 1 , 0 , 4 , 1 , 1 ]
+set restricted_docc [ 3 , 0 , 0 , 0 , 0 , 3 , 0 , 0 ]
+set active [ 1 , 0 , 1 , 1 , 0 , 1 , 1 , 1 ]
set dmrg_sweep_states [ 500, 1000]
set dmrg_sweep_energy_conv [ 1e-10, 1e-10]
@@ -41,6 +41,6 @@
energy("dmrg-caspt2")
-compare_values(-109.15104350802, get_variable("DMRG-SCF ENERGY"), 6, "DMRG-SCF Energy") #TEST
-compare_values(-109.2680229921, get_variable("CURRENT ENERGY"), 6, "DMRG-CASPT2 Energy") #TEST
+compare_values(-107.2576689206, get_variable("DMRG-SCF ENERGY"), 6, "DMRG-SCF Energy") #TEST
+compare_values(-107.5036855148, get_variable("CURRENT ENERGY"), 6, "DMRG-CASPT2 Energy") #TEST
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