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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-09 21:23:30 +01:00

Update cache for travis

This commit is contained in:
Anthony Scemama 2020-08-07 19:32:36 +02:00
parent 68c9340690
commit b97a6004d3
3 changed files with 29 additions and 4 deletions

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@ -36,5 +36,5 @@ python:
script:
- ./configure --install all --config ./config/travis.cfg
- source ./quantum_package.rc ; ninja -j 1 -v
- source ./quantum_package.rc ; qp_test -a
# - source ./quantum_package.rc ; ninja -j 1 -v
# - source ./quantum_package.rc ; qp_test -a

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@ -1776,12 +1776,12 @@ subroutine ac_operator(iorb,ispin,key,hjj,Nint,na,nb)
integer :: k,l,i
if (iorb < 1) then
print *, irp_here, 'iorb < 1'
print *, irp_here, ': iorb < 1'
print *, iorb, mo_num
stop -1
endif
if (iorb > mo_num) then
print *, irp_here, 'iorb > mo_num'
print *, irp_here, ': iorb > mo_num'
print *, iorb, mo_num
stop -1
endif

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@ -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_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
BEGIN_PROVIDER [ double precision, det_alpha_norm, (N_det_alpha_unique) ]