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Fixed for new IRPF90
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@ -10,7 +10,7 @@
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#
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#
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#
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#
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[COMMON]
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[COMMON]
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FC : gfortran -g -ffree-line-length-none -I . -static-libgcc
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FC : gfortran -g -ffree-line-length-none -I .
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LAPACK_LIB : -llapack -lblas
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LAPACK_LIB : -llapack -lblas
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IRPF90 : irpf90
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32
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IRPF90_FLAGS : --ninja --align=32
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@ -51,7 +51,7 @@ FCFLAGS : -Ofast
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# -g : Extra debugging information
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# -g : Extra debugging information
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#
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#
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[DEBUG]
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[DEBUG]
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FCFLAGS : -fcheck=all -g -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant
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FCFLAGS : -Ofast -fcheck=all -g -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant
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# OpenMP flags
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# OpenMP flags
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#################
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#################
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@ -293,9 +293,6 @@
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call save_mos
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call save_mos
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stop
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stop
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end
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end
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@ -684,7 +684,7 @@ subroutine getHP(a,h,p,Nint)
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end do lh
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end do lh
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h = deg
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h = deg
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!isInCassd = .true.
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!isInCassd = .true.
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end function
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end subroutine
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BEGIN_PROVIDER [ double precision, delta_mrcepa0_ij, (N_det_ref,N_det_non_ref,N_states) ]
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BEGIN_PROVIDER [ double precision, delta_mrcepa0_ij, (N_det_ref,N_det_non_ref,N_states) ]
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