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DGEMV for dense matrices

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This commit is contained in:
Anthony Scemama 2017-10-09 21:39:00 +02:00
parent da03903782
commit 9d186b3759
2 changed files with 69 additions and 43 deletions
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11
src/det.irp.f
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@ -1543,6 +1543,8 @@ END_PROVIDER
DaC = 0.d0
CDb = 0.d0
if (det_num < ishft(det_alpha_num*det_beta_num,2)) then
det_num4 = iand(det_num,not(3))
!DIR$ VECTOR ALIGNED
do k=1,det_num4,4
@ -1591,6 +1593,15 @@ END_PROVIDER
CDb(i) = CDb(i) + det_coef_matrix_values(k)*det_beta_value (j)
enddo
else
call dgemv('T',det_alpha_num,det_beta_num,1.d0,det_coef_matrix_dense, &
size(det_coef_matrix_dense,1), det_alpha_value, 1, 0.d0, DaC, 1)
call dgemv('N',det_alpha_num,det_beta_num,1.d0,det_coef_matrix_dense, &
size(det_coef_matrix_dense,1), det_beta_value, 1, 0.d0, CDb, 1)
endif
! Value
! -----

15
src/wf.irp.f
View File

@ -80,6 +80,21 @@ END_PROVIDER
deallocate(buffer)
END_PROVIDER
BEGIN_PROVIDER [ double precision, det_coef_matrix_dense, (det_alpha_num, det_beta_num) ]
implicit none
BEGIN_DOC
! Dense version of det_coef_matrix
END_DOC
integer :: i,j,k
det_coef_matrix_dense = 0.d0
do k=1,det_num
i = det_coef_matrix_rows(k)
j = det_coef_matrix_columns(k)
det_coef_matrix_dense(i,j) = det_coef_matrix_values(k)
enddo
END_PROVIDER
BEGIN_PROVIDER [ integer, det_num ]
implicit none
BEGIN_DOC