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NGTO = 1
GTOPARA(1:5, NGTO) = (/AtomPARA(1:3,1), 3.4252509D0, 0.15432897D0/)
NGTO = NGTO + 1
GTOPARA(1:5, NGTO) = (/AtomPARA(1:3, 1), 0.6239137D0, 0.53532814D0/)
NGTO = NGTO + 1
GTOPARA(1:5, NGTO) = (/AtomPARA(1:3, 1), 0.1688554D0, 0.44463454D0/)
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NGTO = 1
GTOPARA(1:5, NGTO:NGTO + 2) = (/AtomPARA(1:3,1), 3.4252509D0, 0.15432897D0, AtomPARA(1:3, 1), 0.6239137D0, 0.53532814D0,  AtomPARA(1:3, 1), 0.1688554D0, 0.44463454D0/)
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GTOPARA(1:5, NGTO:NGTO + 2) = (/AtomPARA(1:3, I), 3.4252509D0
                  1
Error: Incompatible ranks 2 and 1 in assignment at (1)
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[ Last edited by jjdg on 2010-3-9 at 23:46 ]
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hakekill

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sandf(½ð±Ò+2):лл²ÎÓë
senlia(½ð±Ò+1):¸ÐлӦÖú 2010-03-10 12:40
sandf(½ð±Ò+4):·Ç³£¸Ðл 2010-03-10 13:17
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program main
real :: const( 3, 5 )
real :: atompara( 3, 2)
integer :: r, c
data((const(r, c), c = 4, 5), r = 1, 3)/3.42, 0.15, 0.62, 0.53, 0.16, 0.44/

do r = 1, 3
  do c = 1, 2
    atompara(r, c) = r + c
  end do
end do

do r = 1, 3
  const( r, 1 : 3 ) = atompara( 1 : 3, 1)
end do

print "(5(f6.2,1x))", ((const(r,c),c=1,5),r=1,3)
end program
2Â¥2010-03-10 12:33:49
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ftp0000

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NGTO = 1
DATA GTOPARA(1:5, NGTO:NGTO + 2)   /AtomPARA(1:3,1), 3.4252509D0, 0.15432897D0, AtomPARA(1:3, 1), 0.6239137D0, 0.53532814D0,  AtomPARA(1:3, 1), 0.1688554D0, 0.44463454D0/

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3Â¥2010-03-11 12:37:46
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sandf

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jjdg:¸Ðл½»Á÷ 2010-03-11 23:16
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Originally posted by ftp0000 at 2010-03-11 12:37:46:
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NGTO = 1
DATA GTOPARA(1:5, NGTO:NGTO + 2)   /AtomPARA(1:3,1), 3.4252509D0, 0.15432897D0, AtomPARA(1:3, 1), 0.6239137D0, 0.53532814D0,  AtomPARA(1:3, 1), 0.1 ...

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DATA GTOPARA(1:5, NGTO:NGTO + 2)/AtomPARA(1:3,1), 3.4252509D0
                      1
Error: Cannot change attributes of USE-associated symbol gtopara at (1)
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[ Last edited by sandf on 2010-3-12 at 07:54 ]
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4Â¥2010-03-11 21:25:29
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