Cartesius Library
x3doutput Module Reference

contains the procedures to assure x3d output of information, however, violates the logic of cartesius
More...

Data Types

interface  x3d_class
 

Functions/Subroutines

type(x3d_class) function x3d_class_init (s)
 
subroutine writeatomsx3d (this, output_file)
 writes atoms (molecular geometry) in x3d format More...
 
subroutine writehybridsx3d (this, output_file)
 writes atom's hybrid orbitals in x3d format More...
 
subroutine writeyoungmodulusx3d (this, CMatrix, output_file)
 writes Young modulus in x3d format More...
 
subroutine writex3dheader (this)
 writes a header of the x3d file. @reamrk Basically the only thing which logically belongs to the x3d output module analogically one could invent a vrml header write More...
 
subroutine getcolour (this, v)
 For a function of two variables sets a scale of values between min and max represented by color. Logically belongs to x3d module. More...
 
subroutine produceyoungmodulus (this, CMatrix, VertrexArray, ColorArray, Resulution)
 
subroutine writeatom (this, atom)
 writes an atom as presented in molecular geometry in x3d format More...
 

Detailed Description

contains the procedures to assure x3d output of information, however, violates the logic of cartesius

Todo:
to rearrange the procedures according to cartesius logic. See comments in the specific procedure.

Function/Subroutine Documentation

◆ getcolour()

subroutine x3doutput::getcolour ( class(x3d_class this,
real, intent(inout)  v 
)

For a function of two variables sets a scale of values between min and max represented by color. Logically belongs to x3d module.

◆ produceyoungmodulus()

subroutine x3doutput::produceyoungmodulus ( class(x3d_class this,
real, dimension(6, 6), intent(in)  CMatrix,
real, dimension(:), intent(out), allocatable  VertrexArray,
real, dimension(:), intent(out), allocatable  ColorArray,
integer, intent(in)  Resulution 
)
Todo:
Needs to be cut in a function YoungModulus as belonging to the elasticity modulus and a generic function drawing whatever function dependent on two angles

◆ writeatom()

subroutine x3doutput::writeatom ( class(x3d_class this,
type(particle), intent(inout)  atom 
)

writes an atom as presented in molecular geometry in x3d format

Todo:
needs to go to ParticleOutput
Note
Deprecated but still used in ADAMAS (carbon library). Newer version is in ParticleOutput.

◆ writeatomsx3d()

subroutine x3doutput::writeatomsx3d ( class(x3d_class this,
character(*), intent(in)  output_file 
)

writes atoms (molecular geometry) in x3d format

Note
Deprecated but still used in ADAMAS (carbon library). Newer version is in ParticleOutput.
Parameters
this
Todo:
needs to be part of the ParticeOutput module
Remarks
what is the object "this"?

@question where inertia_class is defined?

◆ writehybridsx3d()

subroutine x3doutput::writehybridsx3d ( class(x3d_class this,
character(*), intent(in)  output_file 
)

writes atom's hybrid orbitals in x3d format

Remarks
so far we did not make any kind of output of the elements of electronic structure. In principle it needs to be done, but logically belongs to the ParticleOutput module
Note
Deprecated but still used in ADAMAS (carbon library). Newer version is in ParticleOutput.

◆ writex3dheader()

subroutine x3doutput::writex3dheader ( class(x3d_class this)

writes a header of the x3d file. @reamrk Basically the only thing which logically belongs to the x3d output module analogically one could invent a vrml header write

◆ writeyoungmodulusx3d()

subroutine x3doutput::writeyoungmodulusx3d ( class(x3d_class this,
real, dimension(6, 6), intent(in)  CMatrix,
character(*), intent(in)  output_file 
)

writes Young modulus in x3d format

Todo:
Needs to be cut in a function YoungModulus as belonging to the elasticity modulus and a generic function drawhing whatever function dependent on two angles

◆ x3d_class_init()

type(x3d_class) function x3doutput::x3d_class_init ( type(node s)