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Reactivate cc46 (#1070)

* reactivate cc46

* manually drop eom/lambda conv parameters to be consistent with pre #995 driver used to generate reference data
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amjames authored and andysim committed Jul 4, 2018
1 parent e8fe8e3 commit badb7d64f6dd2dadc6daf48338f96a3086dc27da
Showing with 10 additions and 2 deletions.
  1. +1 −1 tests/cc46/CMakeLists.txt
  2. +9 −1 tests/cc46/input.dat
@@ -1,3 +1,3 @@
include(TestingMacros)
#add_regression_test(cc46 "psi;cc;autotest")
add_regression_test(cc46 "psi;cc;autotest")
@@ -13,8 +13,16 @@ set {
freeze_core true
roots_per_irrep [2, 2]
}
set cclambda {
r_convergence 4
}
set cceom {
r_convergence 4
e_convergence 5
}
cc_energy, wfn = properties('eom-cc2', properties=['dipole','quadrupole'],return_wfn=True)
cc_energy, wfn = properties('eom-cc2', properties=['oscillator_strength'],return_wfn=True)
gs_refs = {
"CC DIPOLE X": 0.0000,

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