From d81dc01ce0dbd3408e98066be1453e577d06b3b0 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 3 Jan 2020 12:00:19 +0100 Subject: [PATCH] we consider indvidual systems, not families --- src/lattice.f90 | 19 ++++++++++--------- 1 file changed, 10 insertions(+), 9 deletions(-) diff --git a/src/lattice.f90 b/src/lattice.f90 index 050c7ed87..d351079fb 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -2114,8 +2114,8 @@ end function buildInteraction function buildCoordinateSystem(active,potential,system,structure,cOverA) integer, dimension(:), intent(in) :: & - active, & - potential + active, & !< # of active systems per family + potential !< # of potential systems per family real(pReal), dimension(:,:), intent(in) :: & system character(len=*), intent(in) :: & @@ -2308,12 +2308,12 @@ end subroutine buildTransformationSystem !-------------------------------------------------------------------------------------------------- function getlabels(active,potential,system,structure) result(labels) - integer, dimension(:), intent(in) :: & - active, & - potential - real(pReal), dimension(:,:), intent(in) :: & + integer, dimension(:), intent(in) :: & + active, & !< # of active systems per family + potential !< # of potential systems per family + real(pReal), dimension(:,:), intent(in) :: & system - character(len=*), intent(in) :: structure !< lattice structure + character(len=*), intent(in) :: structure !< lattice structure character(len=:), dimension(:), allocatable :: labels character(len=:), allocatable :: label @@ -2335,15 +2335,16 @@ function getlabels(active,potential,system,structure) result(labels) p = sum(potential(1:f-1))+s i = 1 - label(i:i) = merge('[','<',structure(1:3) /= 'bct') + label(i:i) = '[' direction: do j = 1, size(system,1)/2 write(label(i+1:i+2),"(I2.1)") int(system(j,p)) label(i+3:i+3) = ' ' i = i + 3 enddo direction label(i:i) = ']' + i = i +1 - label(i:i) = merge('(','{',structure(1:3) /= 'bct') + label(i:i) = '(' normal: do j = size(system,1)/2+1, size(system,1) write(label(i+1:i+2),"(I2.1)") int(system(j,p)) label(i+3:i+3) = ' '