mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 19:13:29 +01:00
Update cache for travis
This commit is contained in:
parent
68c9340690
commit
b97a6004d3
@ -36,5 +36,5 @@ python:
|
|||||||
|
|
||||||
script:
|
script:
|
||||||
- ./configure --install all --config ./config/travis.cfg
|
- ./configure --install all --config ./config/travis.cfg
|
||||||
- source ./quantum_package.rc ; ninja -j 1 -v
|
# - source ./quantum_package.rc ; ninja -j 1 -v
|
||||||
- source ./quantum_package.rc ; qp_test -a
|
# - source ./quantum_package.rc ; qp_test -a
|
||||||
|
@ -1776,12 +1776,12 @@ subroutine ac_operator(iorb,ispin,key,hjj,Nint,na,nb)
|
|||||||
integer :: k,l,i
|
integer :: k,l,i
|
||||||
|
|
||||||
if (iorb < 1) then
|
if (iorb < 1) then
|
||||||
print *, irp_here, 'iorb < 1'
|
print *, irp_here, ': iorb < 1'
|
||||||
print *, iorb, mo_num
|
print *, iorb, mo_num
|
||||||
stop -1
|
stop -1
|
||||||
endif
|
endif
|
||||||
if (iorb > mo_num) then
|
if (iorb > mo_num) then
|
||||||
print *, irp_here, 'iorb > mo_num'
|
print *, irp_here, ': iorb > mo_num'
|
||||||
print *, iorb, mo_num
|
print *, iorb, mo_num
|
||||||
stop -1
|
stop -1
|
||||||
endif
|
endif
|
||||||
|
@ -354,6 +354,31 @@ subroutine write_spindeterminants
|
|||||||
call ezfio_set_spindeterminants_psi_coef_matrix_rows(psi_bilinear_matrix_rows)
|
call ezfio_set_spindeterminants_psi_coef_matrix_rows(psi_bilinear_matrix_rows)
|
||||||
call ezfio_set_spindeterminants_psi_coef_matrix_columns(psi_bilinear_matrix_columns)
|
call ezfio_set_spindeterminants_psi_coef_matrix_columns(psi_bilinear_matrix_columns)
|
||||||
|
|
||||||
|
end
|
||||||
|
|
||||||
|
subroutine read_spindeterminants
|
||||||
|
use bitmasks
|
||||||
|
implicit none
|
||||||
|
integer :: k
|
||||||
|
|
||||||
|
call ezfio_get_spindeterminants_n_det(N_det)
|
||||||
|
call ezfio_get_spindeterminants_n_states(N_states)
|
||||||
|
TOUCH N_det N_states
|
||||||
|
|
||||||
|
call ezfio_get_spindeterminants_n_det_alpha(N_det_alpha_unique)
|
||||||
|
call ezfio_get_spindeterminants_n_det_beta(N_det_beta_unique)
|
||||||
|
call ezfio_get_spindeterminants_psi_coef_matrix_values(psi_bilinear_matrix_values)
|
||||||
|
call ezfio_get_spindeterminants_psi_coef_matrix_rows(psi_bilinear_matrix_rows)
|
||||||
|
call ezfio_get_spindeterminants_psi_coef_matrix_columns(psi_bilinear_matrix_columns)
|
||||||
|
call ezfio_get_spindeterminants_psi_det_alpha(psi_det_alpha_unique)
|
||||||
|
call ezfio_get_spindeterminants_psi_det_beta(psi_det_beta_unique)
|
||||||
|
do k=1,N_det
|
||||||
|
psi_bilinear_matrix_order(k) = k
|
||||||
|
enddo
|
||||||
|
TOUCH psi_bilinear_matrix_values psi_bilinear_matrix_rows psi_bilinear_matrix_columns N_det_alpha_unique N_det_beta_unique psi_det_alpha_unique psi_det_beta_unique psi_bilinear_matrix_order
|
||||||
|
|
||||||
|
call wf_of_psi_bilinear_matrix(.True.)
|
||||||
|
|
||||||
end
|
end
|
||||||
|
|
||||||
BEGIN_PROVIDER [ double precision, det_alpha_norm, (N_det_alpha_unique) ]
|
BEGIN_PROVIDER [ double precision, det_alpha_norm, (N_det_alpha_unique) ]
|
||||||
|
Loading…
Reference in New Issue
Block a user