From 2e7571cfa53ceaedcc1cdc91e667c0ca425ff587 Mon Sep 17 00:00:00 2001 From: Alex Selimov Date: Tue, 16 Feb 2021 09:37:25 -0500 Subject: [PATCH] Update to change style of restart and pycac.out files --- src/elements.f90 | 5 ++--- src/io.f90 | 1 + 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/elements.f90 b/src/elements.f90 index 6d71e0a..a70af56 100644 --- a/src/elements.f90 +++ b/src/elements.f90 @@ -405,7 +405,7 @@ module elements !Internal variables integer :: it, is, ir, ibasis, inod, ia, bnum, lat_type_temp - real(kind=dp), allocatable :: a_shape(:) + real(kind=dp) :: a_shape(max_ng_node) real(kind=dp) :: t, s, r !Initialize some variables @@ -428,7 +428,6 @@ module elements select case(trim(adjustl(type))) case('fcc','bcc') - allocate(a_shape(8)) !Now loop over all the possible sites do it = 1, esize t = (1.0_dp*(it-1)-(esize-1)/2)/(1.0_dp*(esize-1)/2) @@ -468,7 +467,7 @@ module elements subroutine rhombshape(r,s,t, shape_fun) !Shape function for rhombohedral elements real(kind=8), intent(in) :: r, s, t - real(kind=8), intent(out) :: shape_fun(8) + real(kind=8), intent(out) :: shape_fun(:) shape_fun(1) = (1.0-r)*(1.0-s)*(1.0-t)/8.0 shape_fun(2) = (1.0+r)*(1.0-s)*(1.0-t)/8.0 diff --git a/src/io.f90 b/src/io.f90 index 6ee5e64..f8dd0b4 100644 --- a/src/io.f90 +++ b/src/io.f90 @@ -241,6 +241,7 @@ module io open(unit=11, file=trim(adjustl(file)), action='write', status='replace',position='rewind') + print *, max_basisnum, max_esize !Write header information write(11,1) timestep