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Fixed Travis

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This commit is contained in:
Anthony Scemama 2017-06-03 01:13:49 +02:00
parent 7bd75d687b
commit 2ce0e5d490
1 changed files with 1 additions and 1 deletions
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plugins/Hartree_Fock/Roothaan_Hall_SCF.irp.f
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@ -102,7 +102,7 @@ END_DOC
MO_coef = eigenvectors_Fock_matrix_MO MO_coef = eigenvectors_Fock_matrix_MO
TOUCH MO_coef level_shift TOUCH MO_coef level_shift
Delta_Energy_SCF = HF_energy - energy_SCF_previous Delta_Energy_SCF = HF_energy - energy_SCF_previous
if (level_shift > 1.d0) exit if (level_shift > 0.6d0) exit
enddo enddo
level_shift = level_shift_save level_shift = level_shift_save
SOFT_TOUCH level_shift SOFT_TOUCH level_shift