Hello John,
You should be able to access the struct like an object in a typical
programming language.
s1.pos for positions
s1.pos(1,:) for the first row
s1.pos(:,1) for the first column
s1.a(1) for the first lattice coordinate and such
What you're seeing now is a referral to the entire object.
It's indeed possible that some octave setting caused it to print the
entire object before (maybe even version dependent). But proper
accessing is done through the .pos .
You'd have to check the octave manual for full details on this behavior.
Hope I was of some help,
Michael Sluydts
John Rundgren schreef op 17/09/2014 14:02:
Dear Wien2k team,
SRC_structeditor/doc/readme.txt shows on pages 1-2 how the octave
statement
>s1=loadstruct("GaAs.struct")
generates all thinkable coordinates of the structure. But when I
changed to Ubuntu14 the s1 coordinates remained invisible.
From Gavin Abo I gratefully got a hint to write
>print_struct_array_contents(1)
>s1=loadstruct("GaAs.struct"),
giving readable coordinates wrapped in brackets as shown below.
Remarkably, Ubuntu14-octave has not completely forgotten the
readme.txt instructions:
>s2=makeprimitive(s1)
and
>s3=makeconventional(s1)
write out coordinates as earlier without brackets.
How can one get around the write-out confusion?
Best, John Rundgren
s1 =
1x1 struct array containing the fields:
a =
{
[1,1] =
10.6839450000000 10.6839450000000 10.6839450000000
}
alpha =
{
[1,1] =
90 90 90
}
aname =
{
[1,1] =
Ga
As
}
jrj =
{
[1,1] =
781
781
}
lat2car =
{
[1,1] =
10.683945000000000 0.000000000000000 0.000000000000000
0.000000000000000 10.683945000000000 0.000000000000000
0.000000000000000 0.000000000000000 10.683945000000000
}
brlat =
{
[1,1] =
0.000000000000000 5.341972500000000 5.341972500000000
5.341972500000000 0.000000000000000 5.341972500000000
5.341972500000000 5.341972500000000 0.000000000000000
}
lattic =
{
[1,1] = F
}
nat =
{
[1,1] = 2
}
pos =
{
[1,1] =
0.000000000000000 0.000000000000000 0.000000000000000
0.250000000000000 0.250000000000000 0.250000000000000
}
r0 =
{
[1,1] =
5.00000000000000e-05
5.00000000000000e-05
}
rmt =
{
[1,1] =
2
2
}
zz =
{
[1,1] =
31
33
}
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