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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 13:12:16 +02:00

Repaired Travis

This commit is contained in:
Anthony Scemama 2015-05-28 13:18:34 +02:00
parent 0267780a19
commit e4942942eb
2 changed files with 3 additions and 2 deletions

View File

@ -13,6 +13,7 @@ FCFLAGS+= -ip
FCFLAGS+= -opt-prefetch
FCFLAGS+= -ftz
MKL=-mkl=parallel
NINJA=ninja
ifeq ($(PROFILE),1)
FC += -p -g

View File

@ -169,7 +169,7 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True):
ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None)
ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174)
ref_energy["vdz"]["HBO"] = Energy(None, -19.11982530413317)
ref_energy["vdz"]["HBO"] = Energy(None, -19.119821904)
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