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Factor 2 in RDM

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Anthony Scemama 2021-02-22 13:14:31 +01:00
parent 2036cb8ed4
commit 801af11f1a
1 changed files with 1 additions and 0 deletions
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src/two_body_rdm/two_e_dm_mo.irp.f
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@ -525,5 +525,6 @@ BEGIN_PROVIDER [double precision, two_e_dm_mo, (mo_num,mo_num,mo_num,mo_num,N_st
enddo
enddo
two_e_dm_mo(:,:,:,:,:) = two_e_dm_mo(:,:,:,:,:) * 2.d0
END_PROVIDER