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root/group/trunk/OOPSE/libmdtools/force_globals.F90
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Comparing:
branches/mmeineke/OOPSE/libmdtools/force_globals.F90 (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/force_globals.F90 (file contents), Revision 1138 by gezelter, Wed Apr 28 21:39:22 2004 UTC

# Line 1 | Line 1
1 < !! Fortran interface to C entry plug.
1 > ! Fortran interface to C entry plug.
2  
3   module force_globals
4    use definitions
# Line 14 | Line 14 | module force_globals
14   #ifdef IS_MPI
15    real( kind = dp ), allocatable, dimension(:,:), public :: q_Row
16    real( kind = dp ), allocatable, dimension(:,:), public :: q_Col
17 +  real( kind = dp ), allocatable, dimension(:,:), public :: qcom_Row
18 +  real( kind = dp ), allocatable, dimension(:,:), public :: qcom_Col
19    real( kind = dp ), allocatable, dimension(:,:), public :: u_l_Row
20    real( kind = dp ), allocatable, dimension(:,:), public :: u_l_Col
21    real( kind = dp ), allocatable, dimension(:,:), public :: A_Row
# Line 34 | Line 36 | module force_globals
36  
37    integer, allocatable, dimension(:), public :: atid_Row
38    integer, allocatable, dimension(:), public :: atid_Col
37 – #else
38 –  integer, allocatable, dimension(:), public :: atid
39   #endif
40 +
41 +  integer, allocatable, dimension(:), public :: atid
42 +
43    real( kind = dp ), allocatable, dimension(:,:), public :: rf
44    real(kind = dp), dimension(9), public :: tau_Temp = 0.0_dp
45    real(kind = dp), public :: virial_Temp = 0.0_dp
# Line 74 | Line 77 | contains
77         thisStat = -1
78         return
79      endif
80 +
81 +    allocate(qcom_Row(ndim,nrow),stat=alloc_stat)
82 +    if (alloc_stat /= 0 ) then
83 +       thisStat = -1
84 +       return
85 +    endif
86 +        
87 +    allocate(qcom_Col(ndim,ncol),stat=alloc_stat)
88 +    if (alloc_stat /= 0 ) then
89 +       thisStat = -1
90 +       return
91 +    endif
92        
93      allocate(u_l_Row(ndim,nrow),stat=alloc_stat)
94      if (alloc_stat /= 0 ) then
# Line 153 | Line 168 | contains
168         return
169      endif
170  
171 +    allocate(atid(nlocal),stat=alloc_stat)
172 +    if (alloc_stat /= 0 ) then
173 +       thisStat = -1
174 +       return
175 +    endif
176 +
177 +
178      allocate(atid_Row(nrow),stat=alloc_stat)
179      if (alloc_stat /= 0 ) then
180         thisStat = -1
# Line 214 | Line 236 | contains
236      if (allocated(rf_Row))     deallocate(rf_Row)    
237      if (allocated(atid_Col))   deallocate(atid_Col)
238      if (allocated(atid_Row))   deallocate(atid_Row)
239 +    if (allocated(atid))       deallocate(atid)
240      if (allocated(t_Temp))     deallocate(t_Temp)
241      if (allocated(t_Col))      deallocate(t_Col)
242      if (allocated(t_Row))      deallocate(t_Row)
# Line 227 | Line 250 | contains
250      if (allocated(A_Row))      deallocate(A_Row)
251      if (allocated(u_l_Col))    deallocate(u_l_Col)
252      if (allocated(u_l_Row))    deallocate(u_l_Row)
253 +    if (allocated(qcom_Col))   deallocate(qcom_Col)
254 +    if (allocated(qcom_Row))   deallocate(qcom_Row)    
255      if (allocated(q_Col))      deallocate(q_Col)
256      if (allocated(q_Row))      deallocate(q_Row)    
257   #else    

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