Schema ohmms_dtd.xsd


schema location:  ohmms_dtd.xsd
 
Elements  Complex types 
simulation  applicationType 
summary  atomlistType 
atomType 
attribType 
ensembleType 
kpointType 
loopType 
mdsimType 
parameterType 
particlelayoutType 
particlesetsType 
particlesetType 
potentialType 
processType 
projectType 
randomType 
recordType 
transformType 
unitcellType 


element simulation
diagram
children process
source 
<xs:element name="simulation">
  <xs:complexType>
    <xs:sequence>
      <xs:element name="process" type="processType" minOccurs="0" maxOccurs="unbounded"/>
    </xs:sequence>
  </xs:complexType>
</xs:element>

element simulation/process
diagram
type processType
children project random particlesets transform mdsim
source 
<xs:element name="process" type="processType" minOccurs="0" maxOccurs="unbounded"/>

element summary
diagram
type xs:string
used by
complexType projectType
source 
<xs:element name="summary" type="xs:string"/>

complexType applicationType
diagram
type extension of xs:string
used by
element projectType/application
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string        
role  xs:string        
class  xs:string        
version  xs:string        
source 
<xs:complexType name="applicationType">
  <xs:simpleContent>
    <xs:extension base="xs:string">
      <xs:attribute name="name" type="xs:string"/>
      <xs:attribute name="role" type="xs:string"/>
      <xs:attribute name="class" type="xs:string"/>
      <xs:attribute name="version" type="xs:string"/>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>

complexType atomlistType
diagram
type extension of xs:string
used by
element particlesetType/atomlist
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
size  xs:string  required      
condition  xs:string        
role  xs:string        
source 
<xs:complexType name="atomlistType">
  <xs:simpleContent>
    <xs:extension base="xs:string">
      <xs:attribute name="name" type="xs:string" use="required"/>
      <xs:attribute name="size" type="xs:string" use="required"/>
      <xs:attribute name="condition" type="xs:string"/>
      <xs:attribute name="role" type="xs:string"/>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>

complexType atomType
diagram
type extension of xs:string
used by
element particlesetType/atom
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
role  xs:string        
source 
<xs:complexType name="atomType">
  <xs:simpleContent>
    <xs:extension base="xs:string">
      <xs:attribute name="name" type="xs:string" use="required"/>
      <xs:attribute name="condition" type="xs:string"/>
      <xs:attribute name="role" type="xs:string"/>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>

complexType attribType
diagram
type extension of xs:string
used by
elements kpointType/attrib particlesetType/attrib recordType/attrib
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
datatype  xs:string  required      
condition  xs:string    0    
src  xs:string        
role  xs:string        
source 
<xs:complexType name="attribType">
  <xs:simpleContent>
    <xs:extension base="xs:string">
      <xs:attribute name="name" type="xs:string" use="required"/>
      <xs:attribute name="datatype" type="xs:string" use="required"/>
      <xs:attribute name="condition" type="xs:string" default="0"/>
      <xs:attribute name="src" type="xs:string"/>
      <xs:attribute name="role" type="xs:string"/>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>

complexType ensembleType
diagram
children parameter
used by
element mdsimType/ensemble
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
method  xs:string        
condition  xs:string        
target  xs:string        
role  xs:string        
source 
<xs:complexType name="ensembleType">
  <xs:sequence>
    <xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="name" type="xs:string" use="required"/>
  <xs:attribute name="method" type="xs:string"/>
  <xs:attribute name="condition" type="xs:string"/>
  <xs:attribute name="target" type="xs:string"/>
  <xs:attribute name="role" type="xs:string"/>
</xs:complexType>

element ensembleType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>

complexType kpointType
diagram
children parameter attrib
used by
element potentialType/kpoint
attributes
Name  Type  Use  Default  Fixed  Annotation
datatype  xs:NMTOKEN    auto    
condition  xs:NMTOKEN    reduced    
role  xs:NMTOKEN    none    
size  xs:string        
src  xs:string        
type  xs:string        
source 
<xs:complexType name="kpointType">
  <xs:sequence minOccurs="0">
    <xs:choice>
      <xs:element name="parameter" type="parameterType" maxOccurs="unbounded"/>
      <xs:element name="attrib" type="attribType" maxOccurs="unbounded"/>
    </xs:choice>
  </xs:sequence>
  <xs:attribute name="datatype" default="auto">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="auto"/>
        <xs:enumeration value="list"/>
        <xs:enumeration value="special"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="condition" default="reduced">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="reduced"/>
        <xs:enumeration value="half"/>
        <xs:enumeration value="band"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="role" default="none">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="none"/>
        <xs:enumeration value="distributed"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="size" type="xs:string"/>
  <xs:attribute name="src" type="xs:string"/>
  <xs:attribute name="type" type="xs:string"/>
</xs:complexType>

element kpointType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" maxOccurs="unbounded"/>

element kpointType/attrib
diagram
type attribType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
datatype  xs:string  required      
condition  xs:string    0    
src  xs:string        
role  xs:string        
source 
<xs:element name="attrib" type="attribType" maxOccurs="unbounded"/>

complexType loopType
diagram
children record
used by
element mdsimType/loop
attributes
Name  Type  Use  Default  Fixed  Annotation
blocks  xs:string    1    
steps  xs:string    1    
condition  xs:string        
source 
<xs:complexType name="loopType">
  <xs:sequence>
    <xs:element name="record" type="recordType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="blocks" type="xs:string" default="1"/>
  <xs:attribute name="steps" type="xs:string" default="1"/>
  <xs:attribute name="condition" type="xs:string"/>
</xs:complexType>

element loopType/record
diagram
type recordType
children attrib
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
format  xs:NMTOKEN    xml    
stride  xs:string    -1    
condition  xs:NMTOKEN    append    
target  xs:string        
source 
<xs:element name="record" type="recordType" minOccurs="0" maxOccurs="unbounded"/>

complexType mdsimType
diagram
children particlesets particlelayout potential ensemble record loop
used by
element processType/mdsim
source 
<xs:complexType name="mdsimType">
  <xs:sequence>
    <xs:element name="particlesets" type="particlesetsType" minOccurs="0"/>
    <xs:element name="particlelayout" type="particlelayoutType" minOccurs="0"/>
    <xs:element name="potential" type="potentialType" minOccurs="0"/>
    <xs:element name="ensemble" type="ensembleType" minOccurs="0"/>
    <xs:element name="record" type="recordType" minOccurs="0" maxOccurs="unbounded"/>
    <xs:element name="loop" type="loopType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
</xs:complexType>

element mdsimType/particlesets
diagram
type particlesetsType
children particleset transform particlelayout
source 
<xs:element name="particlesets" type="particlesetsType" minOccurs="0"/>

element mdsimType/particlelayout
diagram
type particlelayoutType
children parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
method  xs:string        
replica  xs:NMTOKEN    true    
target  xs:string        
role  xs:string        
datatype  xs:string        
source 
<xs:element name="particlelayout" type="particlelayoutType" minOccurs="0"/>

element mdsimType/potential
diagram
type potentialType
children kpoint parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
class  xs:string        
condition  xs:string        
morinfo  xs:string        
role  xs:string        
source 
<xs:element name="potential" type="potentialType" minOccurs="0"/>

element mdsimType/ensemble
diagram
type ensembleType
children parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
method  xs:string        
condition  xs:string        
target  xs:string        
role  xs:string        
source 
<xs:element name="ensemble" type="ensembleType" minOccurs="0"/>

element mdsimType/record
diagram
type recordType
children attrib
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
format  xs:NMTOKEN    xml    
stride  xs:string    -1    
condition  xs:NMTOKEN    append    
target  xs:string        
source 
<xs:element name="record" type="recordType" minOccurs="0" maxOccurs="unbounded"/>

element mdsimType/loop
diagram
type loopType
children record
attributes
Name  Type  Use  Default  Fixed  Annotation
blocks  xs:string    1    
steps  xs:string    1    
condition  xs:string        
source 
<xs:element name="loop" type="loopType" minOccurs="0" maxOccurs="unbounded"/>

complexType parameterType
diagram
type extension of xs:string
used by
elements ensembleType/parameter kpointType/parameter particlelayoutType/parameter potentialType/parameter transformType/parameter unitcellType/parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:complexType name="parameterType">
  <xs:simpleContent>
    <xs:extension base="xs:string">
      <xs:attribute name="name" type="xs:string" use="required"/>
      <xs:attribute name="condition" type="xs:string"/>
      <xs:attribute name="datatype" type="xs:string"/>
      <xs:attribute name="src" type="xs:string"/>
      <xs:attribute name="role" type="xs:string"/>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>

complexType particlelayoutType
diagram
children parameter
used by
elements mdsimType/particlelayout particlesetsType/particlelayout
attributes
Name  Type  Use  Default  Fixed  Annotation
method  xs:string        
replica  xs:NMTOKEN    true    
target  xs:string        
role  xs:string        
datatype  xs:string        
source 
<xs:complexType name="particlelayoutType">
  <xs:sequence>
    <xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="method" type="xs:string"/>
  <xs:attribute name="replica" default="true">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="true"/>
        <xs:enumeration value="false"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="target" type="xs:string"/>
  <xs:attribute name="role" type="xs:string"/>
  <xs:attribute name="datatype" type="xs:string"/>
</xs:complexType>

element particlelayoutType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>

complexType particlesetsType
diagram
children particleset transform particlelayout
used by
elements mdsimType/particlesets processType/particlesets
source 
<xs:complexType name="particlesetsType">
  <xs:sequence>
    <xs:element name="particleset" type="particlesetType" maxOccurs="unbounded"/>
    <xs:element name="transform" type="transformType" minOccurs="0" maxOccurs="unbounded"/>
    <xs:element name="particlelayout" type="particlelayoutType" minOccurs="0"/>
  </xs:sequence>
</xs:complexType>

element particlesetsType/particleset
diagram
type particlesetType
children unitcell attrib atom atomlist
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string        
size  xs:string        
role  xs:string        
datatype  xs:string        
source 
<xs:element name="particleset" type="particlesetType" maxOccurs="unbounded"/>

element particlesetsType/transform
diagram
type transformType
children parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
role  xs:string  required      
target  xs:string        
condition  xs:string        
class  xs:string        
source 
<xs:element name="transform" type="transformType" minOccurs="0" maxOccurs="unbounded"/>

element particlesetsType/particlelayout
diagram
type particlelayoutType
children parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
method  xs:string        
replica  xs:NMTOKEN    true    
target  xs:string        
role  xs:string        
datatype  xs:string        
source 
<xs:element name="particlelayout" type="particlelayoutType" minOccurs="0"/>

complexType particlesetType
diagram
children unitcell attrib atom atomlist
used by
element particlesetsType/particleset
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string        
size  xs:string        
role  xs:string        
datatype  xs:string        
source 
<xs:complexType name="particlesetType">
  <xs:sequence minOccurs="0">
    <xs:element name="unitcell" type="unitcellType" minOccurs="0"/>
    <xs:choice>
      <xs:element name="attrib" type="attribType" maxOccurs="unbounded"/>
      <xs:element name="atom" type="atomType" maxOccurs="unbounded"/>
      <xs:element name="atomlist" type="atomlistType" maxOccurs="unbounded"/>
    </xs:choice>
  </xs:sequence>
  <xs:attribute name="name" type="xs:string"/>
  <xs:attribute name="size" type="xs:string"/>
  <xs:attribute name="role" type="xs:string"/>
  <xs:attribute name="datatype" type="xs:string"/>
</xs:complexType>

element particlesetType/unitcell
diagram
type unitcellType
children parameter
attributes
Name  Type  Use  Default  Fixed  Annotation
dimension  xs:string    3    
id  xs:ID        
unit  xs:string        
role  xs:string        
source 
<xs:element name="unitcell" type="unitcellType" minOccurs="0"/>

element particlesetType/attrib
diagram
type attribType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
datatype  xs:string  required      
condition  xs:string    0    
src  xs:string        
role  xs:string        
source 
<xs:element name="attrib" type="attribType" maxOccurs="unbounded"/>

element particlesetType/atom
diagram
type atomType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
role  xs:string        
source 
<xs:element name="atom" type="atomType" maxOccurs="unbounded"/>

element particlesetType/atomlist
diagram
type atomlistType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
size  xs:string  required      
condition  xs:string        
role  xs:string        
source 
<xs:element name="atomlist" type="atomlistType" maxOccurs="unbounded"/>

complexType potentialType
diagram
children kpoint parameter
used by
element mdsimType/potential
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
class  xs:string        
condition  xs:string        
morinfo  xs:string        
role  xs:string        
source 
<xs:complexType name="potentialType">
  <xs:sequence minOccurs="0">
    <xs:element name="kpoint" type="kpointType" minOccurs="0"/>
    <xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="name" type="xs:string" use="required"/>
  <xs:attribute name="class" type="xs:string"/>
  <xs:attribute name="condition" type="xs:string"/>
  <xs:attribute name="morinfo" type="xs:string"/>
  <xs:attribute name="role" type="xs:string"/>
</xs:complexType>

element potentialType/kpoint
diagram
type kpointType
children parameter attrib
attributes
Name  Type  Use  Default  Fixed  Annotation
datatype  xs:NMTOKEN    auto    
condition  xs:NMTOKEN    reduced    
role  xs:NMTOKEN    none    
size  xs:string        
src  xs:string        
type  xs:string        
source 
<xs:element name="kpoint" type="kpointType" minOccurs="0"/>

element potentialType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>

complexType processType
diagram
children project random particlesets transform mdsim
used by
element simulation/process
source 
<xs:complexType name="processType">
  <xs:sequence>
    <xs:element name="project" type="projectType" minOccurs="0"/>
    <xs:element name="random" type="randomType" minOccurs="0"/>
    <xs:element name="particlesets" type="particlesetsType" minOccurs="0"/>
    <xs:element name="transform" minOccurs="0" maxOccurs="unbounded"/>
    <xs:choice minOccurs="0">
      <xs:element name="mdsim" type="mdsimType"/>
    </xs:choice>
  </xs:sequence>
</xs:complexType>

element processType/project
diagram
type projectType
children application summary
attributes
Name  Type  Use  Default  Fixed  Annotation
id  xs:string  required      
series  xs:string  required      
source 
<xs:element name="project" type="projectType" minOccurs="0"/>

element processType/random
diagram
type randomType
attributes
Name  Type  Use  Default  Fixed  Annotation
parallel  xs:NMTOKEN    true    
seed  xs:string    -1    
source 
<xs:element name="random" type="randomType" minOccurs="0"/>

element processType/particlesets
diagram
type particlesetsType
children particleset transform particlelayout
source 
<xs:element name="particlesets" type="particlesetsType" minOccurs="0"/>

element processType/transform
diagram
source 
<xs:element name="transform" minOccurs="0" maxOccurs="unbounded"/>

element processType/mdsim
diagram
type mdsimType
children particlesets particlelayout potential ensemble record loop
source 
<xs:element name="mdsim" type="mdsimType"/>

complexType projectType
diagram
children application summary
used by
element processType/project
attributes
Name  Type  Use  Default  Fixed  Annotation
id  xs:string  required      
series  xs:string  required      
source 
<xs:complexType name="projectType">
  <xs:sequence>
    <xs:element name="application" type="applicationType" minOccurs="0"/>
    <xs:element ref="summary" minOccurs="0"/>
  </xs:sequence>
  <xs:attribute name="id" type="xs:string" use="required"/>
  <xs:attribute name="series" type="xs:string" use="required"/>
</xs:complexType>

element projectType/application
diagram
type applicationType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string        
role  xs:string        
class  xs:string        
version  xs:string        
source 
<xs:element name="application" type="applicationType" minOccurs="0"/>

complexType randomType
diagram
used by
element processType/random
attributes
Name  Type  Use  Default  Fixed  Annotation
parallel  xs:NMTOKEN    true    
seed  xs:string    -1    
source 
<xs:complexType name="randomType">
  <xs:attribute name="parallel" default="true">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="true"/>
        <xs:enumeration value="false"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="seed" type="xs:string" default="-1"/>
</xs:complexType>

complexType recordType
diagram
children attrib
used by
elements loopType/record mdsimType/record
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
format  xs:NMTOKEN    xml    
stride  xs:string    -1    
condition  xs:NMTOKEN    append    
target  xs:string        
source 
<xs:complexType name="recordType">
  <xs:sequence>
    <xs:element name="attrib" type="attribType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="name" type="xs:string" use="required"/>
  <xs:attribute name="format" default="xml">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="xml"/>
        <xs:enumeration value="hdf5"/>
        <xs:enumeration value="ascii"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="stride" type="xs:string" default="-1"/>
  <xs:attribute name="condition" default="append">
    <xs:simpleType>
      <xs:restriction base="xs:NMTOKEN">
        <xs:enumeration value="append"/>
        <xs:enumeration value="overwrite"/>
      </xs:restriction>
    </xs:simpleType>
  </xs:attribute>
  <xs:attribute name="target" type="xs:string"/>
</xs:complexType>

element recordType/attrib
diagram
type attribType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
datatype  xs:string  required      
condition  xs:string    0    
src  xs:string        
role  xs:string        
source 
<xs:element name="attrib" type="attribType" minOccurs="0" maxOccurs="unbounded"/>

complexType transformType
diagram
children parameter
used by
element particlesetsType/transform
attributes
Name  Type  Use  Default  Fixed  Annotation
role  xs:string  required      
target  xs:string        
condition  xs:string        
class  xs:string        
source 
<xs:complexType name="transformType">
  <xs:sequence>
    <xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="role" type="xs:string" use="required"/>
  <xs:attribute name="target" type="xs:string"/>
  <xs:attribute name="condition" type="xs:string"/>
  <xs:attribute name="class" type="xs:string"/>
</xs:complexType>

element transformType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>

complexType unitcellType
diagram
children parameter
used by
element particlesetType/unitcell
attributes
Name  Type  Use  Default  Fixed  Annotation
dimension  xs:string    3    
id  xs:ID        
unit  xs:string        
role  xs:string        
source 
<xs:complexType name="unitcellType">
  <xs:sequence>
    <xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
  </xs:sequence>
  <xs:attribute name="dimension" type="xs:string" default="3"/>
  <xs:attribute name="id" type="xs:ID"/>
  <xs:attribute name="unit" type="xs:string"/>
  <xs:attribute name="role" type="xs:string"/>
</xs:complexType>

element unitcellType/parameter
diagram
type parameterType
attributes
Name  Type  Use  Default  Fixed  Annotation
name  xs:string  required      
condition  xs:string        
datatype  xs:string        
src  xs:string        
role  xs:string        
source 
<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>


XML Schema documentation generated with XMLSPY Schema Editor http://www.altova.com/xmlspy