[2696] | 1 | module messy_main_tools_kp4_compress |
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| 2 | ! |
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| 3 | ! Module to compress data for ros_Integrator using variable time step |
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| 4 | ! in vector mode. This module is not dependent on chemistry setup and |
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| 5 | ! can be use for multiple chemistry setups in one job. |
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| 6 | ! |
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| 7 | |
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| 8 | ! COPYRIGHT Klaus Ketelsen and MPI-CH May 2007 |
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| 9 | |
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| 10 | |
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| 11 | implicit none |
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| 12 | private |
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| 13 | save |
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| 14 | |
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| 15 | ! KPP DP - Double precision kind |
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| 16 | INTEGER, PARAMETER :: dp = SELECTED_REAL_KIND(12,307) |
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| 17 | |
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| 18 | |
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| 19 | ! variables |
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| 20 | integer :: kpoints |
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| 21 | integer :: kpoints_save |
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| 22 | integer,dimension(:),allocatable,public :: index_org |
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| 23 | integer,dimension(:),allocatable :: index_step |
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| 24 | logical,dimension(:),allocatable,public :: cell_done |
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| 25 | logical,dimension(:),allocatable :: done_check |
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| 26 | |
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| 27 | ! Data arrays |
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| 28 | real(kind=dp),dimension(:,:),allocatable :: f_done |
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| 29 | integer, dimension(:), allocatable :: Kacc_done, Krej_done |
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| 30 | integer, dimension(:), allocatable :: ierr_done |
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| 31 | |
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| 32 | ! interface block |
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| 33 | |
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| 34 | interface kco_initialize |
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| 35 | module procedure kco_initialize |
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| 36 | end interface kco_initialize |
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| 37 | |
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| 38 | interface kco_compress |
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| 39 | module procedure kco_compress |
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| 40 | end interface kco_compress |
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| 41 | |
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| 42 | interface kco_finalize |
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| 43 | module procedure kco_finalize |
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| 44 | end interface kco_finalize |
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| 45 | |
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| 46 | public kco_initialize,kco_compress |
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| 47 | public kco_finalize |
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| 48 | |
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| 49 | contains |
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| 50 | ! Public subroutines |
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| 51 | |
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| 52 | subroutine kco_initialize (npoints_initial, f, IERR, Kacc, Krej) |
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| 53 | implicit none |
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| 54 | integer,intent(IN) :: npoints_initial |
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| 55 | real(kind=dp),intent(IN),dimension(:,:) :: f !Only to get dimension for f_done |
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| 56 | integer,intent(IN),dimension(:) :: IERR |
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| 57 | integer,intent(IN),dimension(:) :: Kacc, Krej |
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| 58 | |
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| 59 | !-- local variables |
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| 60 | integer :: jl |
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| 61 | |
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| 62 | kpoints = npoints_initial |
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| 63 | kpoints_save = kpoints |
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| 64 | |
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| 65 | allocate(index_org(kpoints)) |
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| 66 | allocate(done_check(kpoints)) |
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| 67 | allocate(index_step(kpoints)) |
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| 68 | allocate(cell_done(kpoints)) |
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| 69 | |
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| 70 | allocate(f_done(size(f,1),size(f,2))) |
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| 71 | allocate(Kacc_done(size(Kacc))) |
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| 72 | allocate(Krej_done(size(Krej))) |
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| 73 | allocate(ierr_done(size(ierr))) |
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| 74 | |
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| 75 | cell_done = .false. |
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| 76 | done_check = .false. |
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| 77 | |
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| 78 | do jl=1,kpoints |
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| 79 | index_org(jl) = jl |
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| 80 | end do |
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| 81 | |
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| 82 | return |
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| 83 | end subroutine kco_initialize |
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| 84 | |
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| 85 | subroutine kco_compress (n_points, T, H, Hnew, IERR, f, RCONST, FIX, & |
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| 86 | RejectLastH, RejectMoreH, Kacc, Krej) |
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| 87 | implicit none |
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| 88 | integer,intent(INOUT) :: n_points |
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| 89 | real(kind=dp),intent(INOUT),dimension(:) :: T, H, Hnew |
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| 90 | INTEGER,intent(INOUT),dimension(:) :: IERR |
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| 91 | real(kind=dp),intent(INOUT),dimension(:,:) :: f |
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| 92 | real(kind=dp),intent(INOUT),dimension(:,:) :: RCONST, FIX |
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| 93 | LOGICAL,intent(INOUT),dimension(:) :: RejectLastH, RejectMoreH |
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| 94 | integer,intent(INOUT),dimension(:) :: Kacc, Krej |
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| 95 | |
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| 96 | !-- local variables |
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| 97 | integer :: i,jl |
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| 98 | integer :: ic |
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| 99 | |
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| 100 | ! Check, if converged variables exist |
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| 101 | |
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| 102 | if(.not. any(cell_done(1:kpoints))) return |
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| 103 | |
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| 104 | ! Move converged cells to original position |
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| 105 | |
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| 106 | do i=1,size(f,2) |
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| 107 | !CDIR NODEP |
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| 108 | do jl=1,kpoints |
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| 109 | if(cell_done(jl)) then |
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| 110 | f_done(index_org(jl),i) = f(jl,i) |
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| 111 | end if |
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| 112 | end do |
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| 113 | end do |
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| 114 | |
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| 115 | do jl=1,kpoints |
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| 116 | if(cell_done(jl)) then |
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| 117 | ierr_done(index_org(jl)) = ierr(jl) |
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| 118 | Kacc_done(index_org(jl)) = Kacc(jl) |
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| 119 | Krej_done(index_org(jl)) = Krej(jl) |
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| 120 | end if |
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| 121 | end do |
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| 122 | |
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| 123 | !CDIR NODEP |
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| 124 | do jl=1,kpoints |
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| 125 | if(cell_done(jl)) then |
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| 126 | done_check(index_org(jl)) = .true. |
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| 127 | end if |
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| 128 | end do |
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| 129 | !kk write(6,*) 'done check ',kpoints,count(done_check) |
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| 130 | |
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| 131 | ! Compute new index vector |
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| 132 | |
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| 133 | ic = 0 |
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| 134 | do jl=1,kpoints |
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| 135 | if(.not.cell_done(jl)) then |
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| 136 | ic = ic+1 |
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| 137 | index_step(ic) = jl |
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| 138 | end if |
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| 139 | end do |
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| 140 | |
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| 141 | !kk write(6,*) 'new number of points: ',ic |
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| 142 | |
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| 143 | ! Set new number of Points |
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| 144 | |
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| 145 | kpoints = ic |
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| 146 | n_points = ic |
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| 147 | |
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| 148 | ! Compress arrays |
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| 149 | |
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| 150 | index_org(1:ic) = index_org(index_step(1:ic)) |
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| 151 | |
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| 152 | do i=1,size(f,2) |
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| 153 | f(1:ic,i) = f(index_step(1:ic),i) |
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| 154 | end do |
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| 155 | |
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| 156 | ! compress argument list arrays |
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| 157 | |
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| 158 | T(1:ic) = T(index_step(1:ic)) |
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| 159 | IERR(1:ic) = IERR(index_step(1:ic)) |
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| 160 | H(1:ic) = H(index_step(1:ic)) |
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| 161 | Hnew(1:ic) = Hnew(index_step(1:ic)) |
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| 162 | |
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| 163 | do i=1,size(RCONST,2) |
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| 164 | RCONST(1:ic,i) = RCONST(index_step(1:ic),i) |
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| 165 | end do |
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| 166 | |
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| 167 | do i=1,size(FIX,2) |
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| 168 | FIX(1:ic,i) = FIX(index_step(1:ic),i) |
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| 169 | end do |
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| 170 | |
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| 171 | RejectLastH(1:ic) = RejectLastH(index_step(1:ic)) |
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| 172 | RejectMoreH(1:ic) = RejectMoreH(index_step(1:ic)) |
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| 173 | Kacc(1:ic) = Kacc(index_step(1:ic)) |
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| 174 | Krej(1:ic) = Krej(index_step(1:ic)) |
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| 175 | |
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| 176 | return |
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| 177 | end subroutine kco_compress |
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| 178 | |
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| 179 | subroutine kco_finalize ( f, IERR, Kacc, Krej) |
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| 180 | implicit none |
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| 181 | real(kind=dp),intent(INOUT),dimension(:,:) :: f |
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| 182 | integer, intent(INOUT),dimension(:) :: IERR, Kacc, Krej |
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| 183 | |
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| 184 | kpoints = kpoints_save |
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| 185 | |
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| 186 | f(1:kpoints,:) = f_done(1:kpoints,:) ! mz_pj_20070903 (1:kpoints) added |
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| 187 | ierr(1:kpoints) = ierr_done(1:kpoints) ! mz_pj_20070903 ... |
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| 188 | Kacc(1:kpoints) = Kacc_done(1:kpoints) ! mz_pj_20070903 ... |
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| 189 | Krej(1:kpoints) = Krej_done(1:kpoints) ! mz_pj_20070903 ... |
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| 190 | |
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| 191 | deallocate(index_org) |
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| 192 | deallocate(index_step) |
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| 193 | deallocate(cell_done) |
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| 194 | deallocate(done_check) |
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| 195 | |
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| 196 | deallocate(f_done) |
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| 197 | deallocate(ierr_done) |
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| 198 | deallocate(Kacc_done) |
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| 199 | deallocate(Krej_done) |
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| 200 | |
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| 201 | return |
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| 202 | end subroutine kco_finalize |
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| 203 | |
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| 204 | end module messy_main_tools_kp4_compress |
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