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Viewing changes to src/smd/graveyard/smd-serial/smd_system_data.F

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Michael Banck, Daniel Leidert
  • Date: 2012-02-09 20:02:41 UTC
  • mfrom: (1.1.1)
  • Revision ID: package-import@ubuntu.com-20120209200241-jgk03qfsphal4ug2
Tags: 6.1-1
http://bugs.debian.org/632611
https://launchpad.net/bugs/791308
* New upstream release.

[ Michael Banck ]
* debian/patches/02_makefile_flags.patch: Updated.
* debian/patches/02_makefile_flags.patch: Use internal blas and lapack code.
* debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64
  (Closes: #632611 and LP: #791308).
* debian/control (Build-Depends): Added openssh-client.
* debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes:
  #654658).
* debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables.
* debian/TODO: New file.
* debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and
  libscalapack-mpi-dev.
* debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the
  diff output for failed tests.
* debian/patches/series: Adjusted.
* debian/testsuite: Optionally run all tests if "all" is passed as option.
* debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS
  contains "checkall".

[ Daniel Leidert ]
* debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields.
  (Priority): Moved to extra according to policy section 2.5.
  (Standards-Version): Bumped to 3.9.2.
  (Description): Fixed a typo.
* debian/watch: Added.
* debian/patches/03_hurd-i386_define_path_max.patch: Added.
  - Define MAX_PATH if not defines to fix FTBFS on hurd.
* debian/patches/series: Adjusted.

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Lines of Context:
src/smd/graveyard/smd-serial/smd_system_data.F
 
1
      block data initial_smd_system_data
 
2
      implicit none
 
3
#include "smd_system_data.fh"
 
4
c     
 
5
      data smd_system_cname /smd_system_nc*" "/
 
6
 
 
7
      data smd_system_rname /"atom",
 
8
     c                       "parameters",
 
9
     c                       "lattice",
 
10
     c                       "type",
 
11
     c                       "potential",
 
12
     c                       "coordinates",
 
13
     c                       "charge",
 
14
     c                       "fragment",
 
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     c                       "velocity",
 
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     c                       "mass",
 
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     c                       "energy",
 
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     c                       "force",
 
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     c                       "excl_list",
 
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     c                       "verlet_list",
 
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     c                       "shakelist",
 
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     c                       "bondlist",
 
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     c                       "cutoff",
 
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     c                       "temperature",
 
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     c                       "rtdb",
 
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     c                       "ewald",
 
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     c                       "bond"/
 
28
 
 
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30
      end
 
31
 
 
32
      subroutine smd_system_set_component(aname,sp_name)
 
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      implicit none
 
34
#include "errquit.fh"
 
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#include "inp.fh"
 
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#include "mafdecls.fh"
 
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#include "rtdb.fh"
 
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#include "global.fh"
 
39
#include "smd_system_data.fh"
 
40
c     
 
41
      character*(*) aname
 
42
      character*(*) sp_name
 
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c
 
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      character*32 pname,tag
 
45
      integer nrec
 
46
      integer i
 
47
      logical result
 
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      logical ocase
 
49
c
 
50
      pname = "smd_system_set_component"
 
51
c
 
52
c      write(*,*) "in "//pname
 
53
c
 
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c     case sensitive
 
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      ocase = .true.
 
56
c
 
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      nrec = smd_system_nc
 
58
c
 
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      tag = aname
 
60
      result = inp_match(nrec,ocase,aname,smd_system_rname,i)
 
61
      if(.not. result) 
 
62
     >  call errquit(
 
63
     >       pname//'no component '//tag,0, RTDB_ERR)
 
64
 
 
65
      smd_system_cname(i) = sp_name
 
66
      
 
67
      return
 
68
      end
 
69
 
 
70
      subroutine smd_system_unset_component(aname)
 
71
      implicit none
 
72
#include "errquit.fh"
 
73
#include "inp.fh"
 
74
#include "mafdecls.fh"
 
75
#include "rtdb.fh"
 
76
#include "global.fh"
 
77
#include "smd_system_data.fh"
 
78
c     
 
79
      character*(*) aname
 
80
c
 
81
      character*32 pname,tag
 
82
      integer nrec
 
83
      integer i
 
84
      logical result
 
85
      logical ocase
 
86
c
 
87
      pname = "smd_system_set_component"
 
88
c
 
89
c      write(*,*) "in "//pname
 
90
c
 
91
c     case sensitive
 
92
      ocase = .true.
 
93
c
 
94
      nrec = smd_system_nc
 
95
c
 
96
      tag = aname
 
97
      result = inp_match(nrec,ocase,aname,smd_system_rname,i)
 
98
      if(.not. result) 
 
99
     >  call errquit(
 
100
     >       pname//'no component '//tag,0, RTDB_ERR)
 
101
 
 
102
      smd_system_cname(i) = " "
 
103
      
 
104
      return
 
105
      end
 
106
 
 
107
      subroutine smd_system_get_component(sp_name,aname,oexist)
 
108
      implicit none
 
109
#include "errquit.fh"
 
110
#include "inp.fh"
 
111
#include "mafdecls.fh"
 
112
#include "rtdb.fh"
 
113
#include "global.fh"
 
114
#include "smd_system_data.fh"
 
115
c     
 
116
      character*(*) aname
 
117
      character*(*) sp_name
 
118
c
 
119
      character*32 pname,tag
 
120
      integer nrec
 
121
      integer i
 
122
      logical oexist,result
 
123
      logical ocase
 
124
c
 
125
      pname = "smd_system_get_component"
 
126
c
 
127
c      write(*,*) "in "//pname
 
128
c
 
129
c     case sensitive
 
130
      ocase = .true.
 
131
c
 
132
      nrec = smd_system_nc
 
133
c
 
134
      tag = aname
 
135
      result = inp_match(nrec,ocase,aname,smd_system_rname,i)
 
136
      if(.not. result) 
 
137
     >  call errquit(
 
138
     >       pname//'no component '//tag,0, RTDB_ERR)
 
139
 
 
140
      sp_name = smd_system_cname(i)
 
141
      oexist = sp_name.ne." "
 
142
      
 
143
      return
 
144
      end
 
145
 
 
146
      subroutine smd_system_print(un)
 
147
      implicit none
 
148
#include "errquit.fh"
 
149
#include "inp.fh"
 
150
#include "mafdecls.fh"
 
151
#include "rtdb.fh"
 
152
#include "global.fh"
 
153
#include "smd_system_data.fh"
 
154
c     
 
155
      integer un
 
156
c
 
157
      integer i
 
158
c
 
159
      character*30 pname
 
160
      pname = "smd_system_print"
 
161
c
 
162
c      write(*,*) "in "//pname
 
163
      do i=1,smd_system_nc
 
164
        if(smd_system_cname(i).ne."") then
 
165
        write(un,'(A16,"= ",A16)') smd_system_rname(i),
 
166
     >                 smd_system_cname(i)
 
167
        end if
 
168
      end do
 
169
      
 
170
      return
 
171
      end