From 40d5274daebefa652d2a8ba7d5634fa16260c48c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 14 Nov 2016 19:32:53 +0100 Subject: [PATCH] logical comparisons with .eqv. --- .travis.yml | 2 +- plugins/FOBOCI/SC2_1h1p.irp.f | 2 +- plugins/loc_cele/loc_exchange_int.irp.f | 6 +++--- plugins/loc_cele/loc_exchange_int_act.irp.f | 2 +- plugins/loc_cele/loc_exchange_int_inact.irp.f | 2 +- plugins/loc_cele/loc_exchange_int_virt.irp.f | 2 +- 6 files changed, 8 insertions(+), 8 deletions(-) diff --git a/.travis.yml b/.travis.yml index 40c09bbc..57991ba3 100644 --- a/.travis.yml +++ b/.travis.yml @@ -25,7 +25,7 @@ python: - "2.6" script: - - ./configure --production ./config/gfortran.cfg + - ./configure --production ./config/travis.cfg - source ./quantum_package.rc ; qp_module.py install Full_CI Full_CI_ZMQ Hartree_Fock CAS_SD_ZMQ mrcepa0 All_singles - source ./quantum_package.rc ; ninja - source ./quantum_package.rc ; cd ocaml ; make ; cd - diff --git a/plugins/FOBOCI/SC2_1h1p.irp.f b/plugins/FOBOCI/SC2_1h1p.irp.f index b9378575..7733831c 100644 --- a/plugins/FOBOCI/SC2_1h1p.irp.f +++ b/plugins/FOBOCI/SC2_1h1p.irp.f @@ -210,7 +210,7 @@ subroutine dressing_1h1p_by_2h2p(dets_in,u_in,diag_H_elements,dim_in,sze,N_st,Ni integer, intent(in) :: dim_in, sze, N_st, Nint integer(bit_kind), intent(in) :: dets_in(Nint,2,sze) double precision, intent(inout) :: u_in(dim_in,N_st) - double precision, intent(out) :: diag_H_elements(dim_in) + double precision, intent(out) :: diag_H_elements(0:dim_in) double precision, intent(in) :: convergence integer :: i,j,k,l diff --git a/plugins/loc_cele/loc_exchange_int.irp.f b/plugins/loc_cele/loc_exchange_int.irp.f index d7cc5c65..8bb47d89 100644 --- a/plugins/loc_cele/loc_exchange_int.irp.f +++ b/plugins/loc_cele/loc_exchange_int.irp.f @@ -14,7 +14,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_core_inact_orb jorb = list_core_inact(j) iorder(jorb) = jorb @@ -46,7 +46,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_act_orb jorb = list_act(j) iorder(jorb) = jorb @@ -78,7 +78,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_virt_orb jorb = list_virt(j) iorder(jorb) = jorb diff --git a/plugins/loc_cele/loc_exchange_int_act.irp.f b/plugins/loc_cele/loc_exchange_int_act.irp.f index b9bbeb82..f332dd5d 100644 --- a/plugins/loc_cele/loc_exchange_int_act.irp.f +++ b/plugins/loc_cele/loc_exchange_int_act.irp.f @@ -15,7 +15,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_act_orb jorb = list_act(j) iorder(jorb) = jorb diff --git a/plugins/loc_cele/loc_exchange_int_inact.irp.f b/plugins/loc_cele/loc_exchange_int_inact.irp.f index 2ff3c85f..fcf20ced 100644 --- a/plugins/loc_cele/loc_exchange_int_inact.irp.f +++ b/plugins/loc_cele/loc_exchange_int_inact.irp.f @@ -14,7 +14,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_core_inact_orb jorb = list_core_inact(j) iorder(jorb) = jorb diff --git a/plugins/loc_cele/loc_exchange_int_virt.irp.f b/plugins/loc_cele/loc_exchange_int_virt.irp.f index 333f189b..8302b5d2 100644 --- a/plugins/loc_cele/loc_exchange_int_virt.irp.f +++ b/plugins/loc_cele/loc_exchange_int_virt.irp.f @@ -15,7 +15,7 @@ program loc_int exchange_int = 0.d0 iorder = 0 print*,'' - if(list_core_inact_check(iorb) == .False.)cycle + if(list_core_inact_check(iorb) .eqv. .False.)cycle do j = i+1, n_virt_orb jorb = list_virt(j) iorder(jorb) = jorb