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moved psi_energy

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This commit is contained in:
Anthony Scemama 2016-09-22 16:26:54 +02:00
parent 2d8b3f75f3
commit 402a16fbd4
2 changed files with 7 additions and 7 deletions
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7
src/Davidson/u0Hu0.irp.f
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@ -187,4 +187,11 @@ subroutine H_u_0_nstates(v_0,u_0,H_jj,n,keys_tmp,Nint,N_st,sze_8)
deallocate (shortcut, sort_idx, sorted, version)
end
BEGIN_PROVIDER [ double precision, psi_energy, (N_states) ]
implicit none
BEGIN_DOC
! Energy of the current wave function
END_DOC
call u_0_H_u_0_nstates(psi_energy,psi_coef,N_det,psi_det,N_int,N_states,psi_det_size)
END_PROVIDER

7
src/Determinants/slater_rules.irp.f
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@ -1747,10 +1747,3 @@ subroutine get_phase(key1,key2,phase,Nint)
call get_excitation(key1, key2, exc, degree, phase, Nint)
end
BEGIN_PROVIDER [ double precision, psi_energy, (N_states) ]
implicit none
BEGIN_DOC
! Energy of the current wave function
END_DOC
call u_0_H_u_0_nstates(psi_energy,psi_coef,N_det,psi_det,N_int,N_states,psi_det_size)
END_PROVIDER