Commit 01dffed5 authored by mahe's avatar mahe
Browse files

Fixed write_function3d, now work fine in gamma case. write_long_string to be fixed

parent 45a2b1a0
...@@ -176,9 +176,9 @@ MODULE fourier_interpolation ...@@ -176,9 +176,9 @@ MODULE fourier_interpolation
! n = actual number of PW ! n = actual number of PW
! nx = leading dimendion for fg ! nx = leading dimendion for fg
! ndim = 1,2 ! ndim = 1,2
! fr = ONE COMPLEX array containing ONE function in R space (note that the array is not distributed, i.e. dimension = n1*n2*n3 ) ! fg = ONE COMPLEX array containing ONE function in R space (note that the array is not distributed, i.e. dimension = n1*n2*n3 )
! nl = pre-computed mapping from G to R space (i,e. from [1,n] to [1, n1*n2*n3] ) ! nl = pre-computed mapping from G to R space (i,e. from [1,n] to [1, n1*n2*n3] )
! OUTPUT : fg = ONE COMPLEX array containing ONE functions in G space (note that the array is distributed ) ! OUTPUT : fr = ONE COMPLEX array containing ONE functions in G space (note that the array is distributed )
! !
USE kinds, ONLY : DP USE kinds, ONLY : DP
USE fft_scalar, ONLY : cfft3d USE fft_scalar, ONLY : cfft3d
......
...@@ -113,10 +113,11 @@ MODULE function3d ...@@ -113,10 +113,11 @@ MODULE function3d
WRITE(lab(3),'(i14)') nz WRITE(lab(3),'(i14)') nz
WRITE(iu,'(a)') '<grid nx="',TRIM(ADJUSTL(lab(1))),'" ny="',TRIM(ADJUSTL(lab(2))),'" nz="',TRIM(ADJUSTL(lab(3))),'"/>' WRITE(iu,'(a)') '<grid nx="',TRIM(ADJUSTL(lab(1))),'" ny="',TRIM(ADJUSTL(lab(2))),'" nz="',TRIM(ADJUSTL(lab(3))),'"/>'
WRITE(iu,'(a)') '<grid_function type="',ctype,'" nx="',TRIM(ADJUSTL(lab(1))),'" ny="',TRIM(ADJUSTL(lab(2))), & WRITE(iu,'(a)') '<grid_function type="',ctype,'" nx="',TRIM(ADJUSTL(lab(1))),'" ny="',TRIM(ADJUSTL(lab(2))), &
&'" nz="',TRIM(ADJUSTL(lab(3))),' encoding="base64"/>' &'" nz="',TRIM(ADJUSTL(lab(3))),'" encoding="base64">'
CALL write_long_string(iu,charbase64) WRITE(iu,'(a)') charbase64
!CALL write_long_string(iu,charbase64)
WRITE(iu,'(a)') '</grid_function>' WRITE(iu,'(a)') '</grid_function>'
WRITE(iu,'(a)') '</function3d>' WRITE(iu,'(a)') '</fpmd:function3d>'
! !
CLOSE(iu) CLOSE(iu)
! !
......
...@@ -44,7 +44,9 @@ PROGRAM wstat ...@@ -44,7 +44,9 @@ PROGRAM wstat
! !
CALL wstat_setup ( ) CALL wstat_setup ( )
! !
CALL write_function3d( 'wfc.f3d', 30, 30, 30, npw, npwx, evc(1, :)) PRINT*, SHAPE(evc)
PRINT*, npw, npwx
CALL write_function3d( 'wfc.f3d', 60, 60, 60, npw, npwx, evc(:, 3))
! !
RETURN RETURN
! !
......
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