Difference: DataRepresentations (1 vs. 16)

Revision 1610 Oct 2006 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 37 to 37
  -- PhilipCouch - 08 Nov 2004
Changed:
<
<
META FILEATTACHMENT attr="" comment="XML markup for computational chemistry" date="1159884380" name="molpro.corrected.xml" path="molpro.corrected.xml" size="59976" user="PhilipCouch" version="1.1"
>
>
META FILEATTACHMENT attr="" comment="XML markup for computational chemistry" date="1160491964" name="example2.xml" path="example2.xml" size="60019" user="PhilipCouch" version="1.1"
META FILEATTACHMENT attr="" comment="XML markup for computational chemistry" date="1160492217" name="example.xml" path="example.xml" size="59976" user="PhilipCouch" version="1.1"

Revision 1503 Oct 2006 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 37 to 37
  -- PhilipCouch - 08 Nov 2004
Added:
>
>
META FILEATTACHMENT attr="" comment="XML markup for computational chemistry" date="1159884380" name="molpro.corrected.xml" path="molpro.corrected.xml" size="59976" user="PhilipCouch" version="1.1"

Revision 1409 May 2006 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 8 to 8
 

Entities

Changed:
<
<
Molecule
Array
Matrix
Scalar
Grid
>
>
Molecule
Array
Matrix
Scalar
Grid
 Basis set

Associations

Changed:
<
<
Vibration
Basis set assignment
Molecular orbital

>
>
Vibration
Basis set assignment
Molecular orbital

 

Links

Changed:
<
<
Xlink
RDF
XInclude
>
>
Xlink
RDF
XInclude
 

Information about the Chemical Markup Language can be found here

Revision 1303 Mar 2005 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 13 to 13
 Matrix
Scalar
Grid
Changed:
<
<
Basis set

>
>
Basis set

 

Associations

Revision 1216 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 25 to 25
  Xlink
RDF
Changed:
<
<
>
>
XInclude
 

Information about the Chemical Markup Language can be found here

Revision 1115 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 17 to 17
 

Associations

Changed:
<
<
Vibration
Basis set assignment
Molecular orbital

>
>
Vibration
Basis set assignment
Molecular orbital

 

Links

Changed:
<
<
Xlink
RDF
>
>
Xlink
RDF
 

Revision 1012 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 13 to 13
 Matrix
Scalar
Grid
Changed:
<
<
Basis set

>
>
Basis set

 

Associations

Revision 912 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 8 to 8
 

Entities

Changed:
<
<
Molecule
Array
Matrix
Scalar
Grid
>
>
Molecule
Array
Matrix
Scalar
Grid
 Basis set

Associations

Revision 810 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

This page provides links to UML and XML schema data models and examples of markup.

Changed:
<
<

Examples

>
>

Markup examples

 
Changed:
<
<

Entities (XML Components)

>
>

Entities

  Molecule
Array
Line: 26 to 26
 Xlink
RDF
Deleted:
<
<

Example documents

 
Changed:
<
<
1. Ethane molecule, GAMESS-UK Punch file
>
>
Information about the Chemical Markup Language can be found here
Information about the VTK XML file format can be found here

Other data models of interest include:

-- PhilipCouch - 08 Nov 2004

 

Revision 710 Nov 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Changed:
<
<
This page provides links to UML and XML schema data models
>
>
This page provides links to UML and XML schema data models and examples of markup.

Examples

Entities (XML Components)

Molecule
Array
Matrix
Scalar
Grid
Basis set

Associations

Vibration
Basis set assignment
Molecular orbital

Links

Xlink
RDF

Example documents

1. Ethane molecule, GAMESS-UK Punch file

Revision 622 Jul 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Changed:
<
<
This page provides links to data models and discussions.
>
>
This page provides links to UML and XML schema data models

Revision 513 May 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

This page provides links to data models and discussions.

Deleted:
<
<
Schema: the eCCP schema can be found here.

UML: this is a link to UML schema design diagrams (you will need a SVG plugin, see http://www.adobe.com/svg/viewer/install/main.html).

SchemaDesignDiscussions

Revision 431 Mar 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

This page provides links to data models and discussions.

Changed:
<
<
Schema: the eCCP schema can be found here.
>
>
Schema: the eCCP schema can be found here.
  UML: this is a link to UML schema design diagrams (you will need a SVG plugin, see http://www.adobe.com/svg/viewer/install/main.html).

Revision 325 Mar 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"

Data Representation

Line: 6 to 6
  Schema: the eCCP schema can be found here.
Changed:
<
<
UML: this is a link to UML schema design diagrams.
>
>
UML: this is a link to UML schema design diagrams (you will need a SVG plugin, see http://www.adobe.com/svg/viewer/install/main.html).
 

SchemaDesignDiscussions

Revision 224 Mar 2004 - PhilipCouch

Line: 1 to 1
 
META TOPICPARENT name="WebHome"
Deleted:
<
<
 

Data Representation

Changed:
<
<
This page provides links to data representation designs and discussions.
>
>
This page provides links to data models and discussions.
  Schema: the eCCP schema can be found here.
Changed:
<
<
UML: this is a link to UML schema design diagrams.
>
>
UML: this is a link to UML schema design diagrams.
 

SchemaDesignDiscussions

Revision 124 Mar 2004 - PhilipCouch

Line: 1 to 1
Added:
>
>
META TOPICPARENT name="WebHome"

Data Representation

This page provides links to data representation designs and discussions.

Schema: the eCCP schema can be found here.

UML: this is a link to UML schema design diagrams.

SchemaDesignDiscussions

 
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