Commit f11ad9de authored by Matthias Redies's avatar Matthias Redies

move max_indx_p_1 calc to mpdata_init

parent 273e86ec
......@@ -216,7 +216,7 @@ CONTAINS
allocate(basprod(atoms%jmtd), stat=ok)
IF (ok /= 0) call judft_error('eigen_hf: failure allocation basprod')
IF(ALLOCATED(hybdat%prodm)) DEALLOCATE(hybdat%prodm)
allocate(hybdat%prodm(maxval(mpdata%num_radbasfn), hybdat%max_indx_p_1, 0:maxval(hybinp%lcutm1), atoms%ntype), stat=ok)
allocate(hybdat%prodm(maxval(mpdata%num_radbasfn), mpdata%max_indx_p_1, 0:maxval(hybinp%lcutm1), atoms%ntype), stat=ok)
IF (ok /= 0) call judft_error('eigen_hf: failure allocation hybdat%prodm')
basprod = 0; hybdat%prodm = 0; mpdata%l1 = 0; mpdata%l2 = 0
......
......@@ -72,7 +72,7 @@ CONTAINS
! local scalars
INTEGER :: jspin, itype, l1, l2, l, n_radbasfn, full_n_radbasfn, n1, n2
INTEGER :: m, i_basfn, i, n_grid_pt,j
INTEGER :: i_basfn, i, n_grid_pt,j
REAL :: rdum, rdum1, max_momentum, momentum
! - local arrays -
......@@ -137,7 +137,6 @@ CONTAINS
! determine maximal indices of (radial) mixed-basis functions (->num_radbasfn)
! (will be reduced later-on due to overlap)
hybdat%max_indx_p_1 = 0
DO itype = 1, atoms%ntype
seleco = .FALSE.
selecu = .FALSE.
......@@ -154,7 +153,6 @@ CONTAINS
DO l = 0, hybinp%lcutm1(itype)
n_radbasfn = 0
M = 0
!
! valence * valence
......@@ -172,7 +170,6 @@ CONTAINS
IF (l >= ABS(l1 - l2) .AND. l <= l1 + l2) THEN
DO n1 = 1, mpdata%num_radfun_per_l(l1, itype)
DO n2 = 1, mpdata%num_radfun_per_l(l2, itype)
M = M + 1
IF (selecmat(n1, l1, n2, l2)) THEN
n_radbasfn = n_radbasfn + 1
selecmat(n2, l2, n1, l1) = .FALSE. ! prevent double counting of products (a*b = b*a)
......@@ -185,7 +182,6 @@ CONTAINS
IF (n_radbasfn == 0 .AND. mpi%irank == 0) &
WRITE (6, '(A)') 'mixedbasis: Warning! No basis-function product of '//lchar(l)// &
'-angular momentum defined.'
hybdat%max_indx_p_1 = MAX(hybdat%max_indx_p_1, M)
mpdata%num_radbasfn(l, itype) = n_radbasfn*input%jspins
END DO
END DO
......
......@@ -29,7 +29,6 @@ MODULE m_types_hybdat
INTEGER :: maxlmindx = -1
COMPLEX, ALLOCATABLE :: stepfunc(:,:,:)
INTEGER :: nbasp = -1
INTEGER :: max_indx_p_1 = -1
INTEGER :: maxbasm1 = -1
INTEGER, ALLOCATABLE :: nbasm(:)
contains
......
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