Commit 5c14d441 by Gregor Michalicek

### Made ufft an explicit parameter of convol again

This is to make it usable for situations where ufft is not
the step function. Christian has such situations.

Also corrected the documentation in convol.
parent f962d199
 ... ... @@ -369,7 +369,7 @@ CONTAINS ! ! convolute ufft and pot: F(G) = \sum_(G') U(G - G') V(G') ! CALL convol(stars, vpw_w, vpw) CALL convol(stars, vpw_w, vpw, stars%ufft) ! IF (input%jspins.EQ.2) CALL CPP_BLAS_ccopy(stars%ng3,vpw_w(1,1),1,vpw_w(1,input%jspins),1) ! ... ...
 ... ... @@ -166,7 +166,7 @@ CONTAINS CALL convol(& & stars,& & fg3,& & ag3) & ag3,stars%ufft) IF (sym%invs) THEN DO imap = 1,stars%ng3 sout(imap+nmaph*(js-1)) = cell%omtil*REAL(fg3(imap)) ... ... @@ -193,7 +193,7 @@ CONTAINS CALL convol(& & stars,& & fg3,& & ag3) & ag3,stars%ufft) DO imap = 1,stars%ng3 sout(2*nmaph + imap) = cell%omtil*REAL(fg3(imap)) sout(2*nmaph + stars%ng3 + imap) = cell%omtil*AIMAG(fg3(imap)) ... ...
 ... ... @@ -3,18 +3,21 @@ SUBROUTINE convol(& & stars, & & fg3,& & ag3& & ag3,ufft& & ) !************************************************************ !* * !* calculate f(G) = \sum_G' U(G' - G) a(G') * !* calculate f(G) = \sum_G' U(G - G') a(G') * !* * !* U is already given on the real space mesh as U(r) * !* * !* ag3(star) -- FFT --> gfft(r,1) * !* gfft(r,1)=gfft(r,1) * U (r) * !* fg3(star) <- FFT --- gfft(r,1) * !* * !* dimension of gfft is (3*stars%k1d x 3*stars%k2d x 3*stars%k3d) * !* dimension of gfft is * !* (3*stars%k1d x 3*stars%k2d x 3*stars%k3d) * !* * !************************************************************ USE m_types ... ... @@ -24,6 +27,7 @@ TYPE(t_stars),INTENT(IN) :: stars COMPLEX, INTENT (IN) :: ag3(stars%n3d) COMPLEX, INTENT (OUT) :: fg3(stars%n3d) REAL, INTENT (IN) :: ufft(0:27*stars%k1d*stars%k2d*stars%k3d-1) INTEGER i,ifftd REAL, ALLOCATABLE :: gfft(:,:) ... ...
 ... ... @@ -110,7 +110,7 @@ CONTAINS CALL convol( & stars, & psq, & vpw) vpw,stars%ufft) ! Add to total potential vpw_total(:)=vpw_total(:)+psq ... ...
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