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Ndet sized arrays on stack in slater_rules

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This commit is contained in:
Yann Garniron 2016-10-26 14:56:37 +02:00
parent 6df982f2d0
commit 5b5e45e1ca
1 changed files with 12 additions and 5 deletions
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17
src/Determinants/slater_rules.irp.f
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@ -1059,13 +1059,15 @@ subroutine i_H_psi(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_array)
double precision :: phase double precision :: phase
integer :: exc(0:2,2,2) integer :: exc(0:2,2,2)
double precision :: hij double precision :: hij
integer :: idx(0:Ndet) integer, allocatable :: idx(:)
ASSERT (Nint > 0) ASSERT (Nint > 0)
ASSERT (N_int == Nint) ASSERT (N_int == Nint)
ASSERT (Nstate > 0) ASSERT (Nstate > 0)
ASSERT (Ndet > 0) ASSERT (Ndet > 0)
ASSERT (Ndet_max >= Ndet) ASSERT (Ndet_max >= Ndet)
allocate(idx(0:Ndet))
i_H_psi_array = 0.d0 i_H_psi_array = 0.d0
call filter_connected_i_H_psi0(keys,key,Nint,Ndet,idx) call filter_connected_i_H_psi0(keys,key,Nint,Ndet,idx)
@ -1107,7 +1109,7 @@ subroutine i_H_psi_minilist(key,keys,idx_key,N_minilist,coef,Nint,Ndet,Ndet_max,
double precision :: phase double precision :: phase
integer :: exc(0:2,2,2) integer :: exc(0:2,2,2)
double precision :: hij double precision :: hij
integer :: idx(0:Ndet) integer, allocatable :: idx(:)
BEGIN_DOC BEGIN_DOC
! Computes <i|H|Psi> = \sum_J c_J <i|H|J>. ! Computes <i|H|Psi> = \sum_J c_J <i|H|J>.
! !
@ -1120,6 +1122,7 @@ subroutine i_H_psi_minilist(key,keys,idx_key,N_minilist,coef,Nint,Ndet,Ndet_max,
ASSERT (Nstate > 0) ASSERT (Nstate > 0)
ASSERT (Ndet > 0) ASSERT (Ndet > 0)
ASSERT (Ndet_max >= Ndet) ASSERT (Ndet_max >= Ndet)
allocate(idx(0:Ndet))
i_H_psi_array = 0.d0 i_H_psi_array = 0.d0
call filter_connected_i_H_psi0(keys,key,Nint,N_minilist,idx) call filter_connected_i_H_psi0(keys,key,Nint,N_minilist,idx)
@ -1165,7 +1168,8 @@ subroutine i_H_psi_sec_ord(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_array
double precision :: phase double precision :: phase
integer :: exc(0:2,2,2) integer :: exc(0:2,2,2)
double precision :: hij double precision :: hij
integer :: idx(0:Ndet),n_interact integer,allocatable :: idx(:)
integer :: n_interact
BEGIN_DOC BEGIN_DOC
! <key|H|psi> for the various Nstates ! <key|H|psi> for the various Nstates
END_DOC END_DOC
@ -1175,6 +1179,7 @@ subroutine i_H_psi_sec_ord(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_array
ASSERT (Nstate > 0) ASSERT (Nstate > 0)
ASSERT (Ndet > 0) ASSERT (Ndet > 0)
ASSERT (Ndet_max >= Ndet) ASSERT (Ndet_max >= Ndet)
allocate(idx(0:Ndet))
i_H_psi_array = 0.d0 i_H_psi_array = 0.d0
call filter_connected_i_H_psi0(keys,key,Nint,Ndet,idx) call filter_connected_i_H_psi0(keys,key,Nint,Ndet,idx)
n_interact = 0 n_interact = 0
@ -1224,7 +1229,7 @@ subroutine i_H_psi_SC2(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_array,idx
double precision :: phase double precision :: phase
integer :: exc(0:2,2,2) integer :: exc(0:2,2,2)
double precision :: hij double precision :: hij
integer :: idx(0:Ndet) integer,allocatable :: idx(:)
ASSERT (Nint > 0) ASSERT (Nint > 0)
ASSERT (N_int == Nint) ASSERT (N_int == Nint)
@ -1232,6 +1237,7 @@ subroutine i_H_psi_SC2(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_array,idx
ASSERT (Ndet > 0) ASSERT (Ndet > 0)
ASSERT (Ndet_max >= Ndet) ASSERT (Ndet_max >= Ndet)
i_H_psi_array = 0.d0 i_H_psi_array = 0.d0
allocate(idx(0:Ndet))
call filter_connected_i_H_psi0_SC2(keys,key,Nint,Ndet,idx,idx_repeat) call filter_connected_i_H_psi0_SC2(keys,key,Nint,Ndet,idx,idx_repeat)
do ii=1,idx(0) do ii=1,idx(0)
i = idx(ii) i = idx(ii)
@ -1271,7 +1277,7 @@ subroutine i_H_psi_SC2_verbose(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_a
double precision :: phase double precision :: phase
integer :: exc(0:2,2,2) integer :: exc(0:2,2,2)
double precision :: hij double precision :: hij
integer :: idx(0:Ndet) integer,allocatable :: idx(:)
ASSERT (Nint > 0) ASSERT (Nint > 0)
ASSERT (N_int == Nint) ASSERT (N_int == Nint)
@ -1279,6 +1285,7 @@ subroutine i_H_psi_SC2_verbose(key,keys,coef,Nint,Ndet,Ndet_max,Nstate,i_H_psi_a
ASSERT (Ndet > 0) ASSERT (Ndet > 0)
ASSERT (Ndet_max >= Ndet) ASSERT (Ndet_max >= Ndet)
i_H_psi_array = 0.d0 i_H_psi_array = 0.d0
allocate(idx(0:Ndet))
call filter_connected_i_H_psi0_SC2(keys,key,Nint,Ndet,idx,idx_repeat) call filter_connected_i_H_psi0_SC2(keys,key,Nint,Ndet,idx,idx_repeat)
print*,'--------' print*,'--------'
do ii=1,idx(0) do ii=1,idx(0)