source: XMLF90-doc/Examples/cml/example.f90 @ 1160

Last change on this file since 1160 was 6, checked in by ymipsl, 13 years ago

Import des sources XMLF90

File size: 1.4 KB
Line 
1 program example
2
3   use flib_wxml
4   use flib_cml
5
6  integer,  parameter ::  sp = selected_real_kind(6,30)
7  integer,  parameter ::  dp = selected_real_kind(14,100)
8!
9! NB normally you will be writting to the xml file
10! from mulitple fortran files/subroutines, therefore
11! type(xmlf_t) :: myfile   (below)
12! would normally need to be treated as a global
13! variable, either in a module or a common block.
14!
15  type(xmlf_t) :: myfile
16!
17
18  integer           :: num, na
19  character(len=10) :: jon
20  character(len=2)  :: elements(3)
21  real(kind=dp)      :: coords(3,3)
22  real(kind=dp)      :: adp
23
24  data coords(1:3,1)/0.0, 0.0, 0.0/
25  data coords(1:3,2)/0.5, 0.5, 0.5/
26  data coords(1:3,3)/0.4, 0.4, 0.4/
27
28  adp=1.234567890
29  na=3
30  elements(1) = 'Ca'
31  elements(2) = 'Si'
32  elements(3) = 'O'
33  num = 20
34  jon = '   jon'
35 
36  call xml_OpenFile('output.xml', myfile, indent=.true.)
37
38  ! Start element
39  call xml_NewElement(myfile, 'foo')
40
41  ! Add molecule
42  call cmlAddMolecule(xf=myfile, natoms=na,elements=elements,coords=coords)                               
43
44  ! Add molecule output in short style
45  call cmlAddMolecule(xf=myfile, natoms=na,elements=elements,coords=coords, style='xyz3')
46
47  ! Add molecule output in short style in user supplied format
48  call cmlAddMolecule(xf=myfile, natoms=na,elements=elements,coords=coords, style='xyz3', fmt='(f12.6)')
49
50  ! End and Close
51  call xml_EndElement(myfile, 'foo')
52  call xml_Close(myfile)
53 
54end program example
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