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https://github.com/LCPQ/quantum_package
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logical comparisons with .eqv.
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@ -25,7 +25,7 @@ python:
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- "2.6"
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script:
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- ./configure --production ./config/gfortran.cfg
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- ./configure --production ./config/travis.cfg
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- source ./quantum_package.rc ; qp_module.py install Full_CI Full_CI_ZMQ Hartree_Fock CAS_SD_ZMQ mrcepa0 All_singles
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- source ./quantum_package.rc ; ninja
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- source ./quantum_package.rc ; cd ocaml ; make ; cd -
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@ -210,7 +210,7 @@ subroutine dressing_1h1p_by_2h2p(dets_in,u_in,diag_H_elements,dim_in,sze,N_st,Ni
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integer, intent(in) :: dim_in, sze, N_st, Nint
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integer(bit_kind), intent(in) :: dets_in(Nint,2,sze)
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double precision, intent(inout) :: u_in(dim_in,N_st)
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double precision, intent(out) :: diag_H_elements(dim_in)
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double precision, intent(out) :: diag_H_elements(0:dim_in)
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double precision, intent(in) :: convergence
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integer :: i,j,k,l
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@ -14,7 +14,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_core_inact_orb
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jorb = list_core_inact(j)
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iorder(jorb) = jorb
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@ -46,7 +46,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_act_orb
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jorb = list_act(j)
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iorder(jorb) = jorb
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@ -78,7 +78,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_virt_orb
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jorb = list_virt(j)
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iorder(jorb) = jorb
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@ -15,7 +15,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_act_orb
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jorb = list_act(j)
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iorder(jorb) = jorb
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@ -14,7 +14,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_core_inact_orb
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jorb = list_core_inact(j)
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iorder(jorb) = jorb
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@ -15,7 +15,7 @@ program loc_int
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exchange_int = 0.d0
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iorder = 0
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print*,''
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if(list_core_inact_check(iorb) == .False.)cycle
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if(list_core_inact_check(iorb) .eqv. .False.)cycle
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do j = i+1, n_virt_orb
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jorb = list_virt(j)
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iorder(jorb) = jorb
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