LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 12:23:48 +01:00
Code Issues Releases Wiki Activity

logical comparisons with .eqv.

Browse Source
This commit is contained in:
Anthony Scemama 2016-11-14 19:32:53 +01:00
parent ecd9ffd48d
commit 40d5274dae
6 changed files with 8 additions and 8 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
.travis.yml
View File

@ -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 -

2
plugins/FOBOCI/SC2_1h1p.irp.f
View File

@ -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

6
plugins/loc_cele/loc_exchange_int.irp.f
View File

@ -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

2
plugins/loc_cele/loc_exchange_int_act.irp.f
View File

@ -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

2
plugins/loc_cele/loc_exchange_int_inact.irp.f
View File

@ -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

2
plugins/loc_cele/loc_exchange_int_virt.irp.f
View File

@ -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