Commit 514bca2b by Francois Gygi

changed namespace to fpmd


git-svn-id: http://qboxcode.org/svn/qb/trunk@435 cba15fb0-1239-40c8-b417-11db7ca47a34
parent a08d0abe
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<qbox:species xmlns:qbox="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" <fpmd:species xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:schemaLocation="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0 xsi:schemaLocation="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0
species.xsd"> species.xsd">
<description>Hamann carbon PBE</description> <description>Hamann carbon PBE</description>
<symbol>C</symbol> <symbol>C</symbol>
...@@ -2827,4 +2827,4 @@ ...@@ -2827,4 +2827,4 @@
</radial_function> </radial_function>
</projector> </projector>
</norm_conserving_pseudopotential> </norm_conserving_pseudopotential>
</qbox:species> </fpmd:species>
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<qbox:species name="carbon" xlink:href="carbon.xml" <fpmd:species name="carbon" xlink:href="carbon.xml"
xmlns:qbox="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xlink="http://www.w3.org/1999/xlink"
xsi:schemaLocation="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0 xsi:schemaLocation="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0
species.xsd"> species.xsd">
</qbox:species> </fpmd:species>
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<qbox:species xmlns:qbox="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" <fpmd:species xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:schemaLocation="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0 xsi:schemaLocation="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0
species.xsd"> species.xsd">
<description>Giannozzi hydrogen LDA</description> <description>Giannozzi hydrogen LDA</description>
<symbol>H</symbol> <symbol>H</symbol>
...@@ -620,4 +620,4 @@ ...@@ -620,4 +620,4 @@
</radial_potential> </radial_potential>
</projector> </projector>
</norm_conserving_pseudopotential> </norm_conserving_pseudopotential>
</qbox:species> </fpmd:species>
<?xml version="1.0"?> <?xml version="1.0"?>
<schema xmlns="http://www.w3.org/2001/XMLSchema" <schema xmlns="http://www.w3.org/2001/XMLSchema"
xmlns:qbox="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
targetNamespace="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" targetNamespace="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:xlink="http://www.w3.org/1999/xlink"> xmlns:xlink="http://www.w3.org/1999/xlink">
<annotation> <annotation>
<documentation> $Id: sample.xsd,v 1.7 2004-05-04 21:49:41 fgygi Exp $ <documentation> $Id: sample.xsd,v 1.8 2006-03-07 07:42:46 fgygi Exp $
Qbox sample specification schema. Qbox sample specification schema.
Francois Gygi, Lawrence Livermore National Laboratory. Francois Gygi, Lawrence Livermore National Laboratory.
Copyright (c) 2003-2004 The Regents of the University of California. Copyright (c) 2003-2004 The Regents of the University of California.
...@@ -16,22 +16,22 @@ ...@@ -16,22 +16,22 @@
<include schemaLocation="species.xsd"/> <include schemaLocation="species.xsd"/>
<element name="sample" type="qbox:sampleType"/> <element name="sample" type="fpmd:sampleType"/>
<complexType name="sampleType"> <complexType name="sampleType">
<sequence> <sequence>
<element name="description" type="string" minOccurs="0" maxOccurs="1"/> <element name="description" type="string" minOccurs="0" maxOccurs="1"/>
<element name="atomset" type="qbox:atomsetType" minOccurs="0"/> <element name="atomset" type="fpmd:atomsetType" minOccurs="0"/>
<element name="wavefunction" type="qbox:wavefunctionType" minOccurs="0"/> <element name="wavefunction" type="fpmd:wavefunctionType" minOccurs="0"/>
<element name="wavefunction_velocity" <element name="wavefunction_velocity"
type="qbox:wavefunctionType" minOccurs="0"/> type="fpmd:wavefunctionType" minOccurs="0"/>
</sequence> </sequence>
</complexType> </complexType>
<complexType name="atomsetType"> <complexType name="atomsetType">
<sequence minOccurs="0"> <sequence minOccurs="0">
<element name="species" type="qbox:speciesType" <element name="species" type="fpmd:speciesType"
minOccurs="0" maxOccurs="unbounded"/> minOccurs="0" maxOccurs="unbounded"/>
<element name="atom" type="qbox:atomType" <element name="atom" type="fpmd:atomType"
minOccurs="0" maxOccurs="unbounded"/> minOccurs="0" maxOccurs="unbounded"/>
</sequence> </sequence>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
...@@ -39,8 +39,8 @@ ...@@ -39,8 +39,8 @@
<complexType name="atomType"> <complexType name="atomType">
<sequence> <sequence>
<element name="position" type="qbox:d3vectorType"/> <element name="position" type="fpmd:d3vectorType"/>
<element name="velocity" minOccurs="0" type="qbox:d3vectorType"/> <element name="velocity" minOccurs="0" type="fpmd:d3vectorType"/>
</sequence> </sequence>
<attribute name="name" type="NMTOKEN" use="required"/> <attribute name="name" type="NMTOKEN" use="required"/>
<attribute name="species" type="NMTOKEN" use="required"/> <attribute name="species" type="NMTOKEN" use="required"/>
...@@ -48,23 +48,23 @@ ...@@ -48,23 +48,23 @@
<complexType name="wavefunctionType"> <complexType name="wavefunctionType">
<sequence minOccurs="0"> <sequence minOccurs="0">
<element name="domain" type="qbox:domainType"/> <element name="domain" type="fpmd:domainType"/>
<element name="reference_domain" minOccurs="0" type="qbox:domainType"/> <element name="reference_domain" minOccurs="0" type="fpmd:domainType"/>
<element name="grid" type="qbox:gridType"/> <element name="grid" type="fpmd:gridType"/>
<element name="slater_determinant" type="qbox:slater_determinantType" <element name="slater_determinant" type="fpmd:slater_determinantType"
maxOccurs="unbounded"/> maxOccurs="unbounded"/>
</sequence> </sequence>
<attribute name="ecut" type="qbox:nonNegativeDouble" use="optional"/> <attribute name="ecut" type="fpmd:nonNegativeDouble" use="optional"/>
<attribute name="nspin" type="qbox:nspinType" use="required"/> <attribute name="nspin" type="fpmd:nspinType" use="required"/>
<attribute name="nel" type="nonNegativeInteger" use="required"/> <attribute name="nel" type="nonNegativeInteger" use="required"/>
<attribute name="nempty" type="nonNegativeInteger" default="0"/> <attribute name="nempty" type="nonNegativeInteger" default="0"/>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
</complexType> </complexType>
<complexType name="domainType"> <complexType name="domainType">
<attribute name="a" type="qbox:d3vectorType" use="required"/> <attribute name="a" type="fpmd:d3vectorType" use="required"/>
<attribute name="b" type="qbox:d3vectorType" use="required"/> <attribute name="b" type="fpmd:d3vectorType" use="required"/>
<attribute name="c" type="qbox:d3vectorType" use="required"/> <attribute name="c" type="fpmd:d3vectorType" use="required"/>
</complexType> </complexType>
<complexType name="gridType"> <complexType name="gridType">
...@@ -75,12 +75,12 @@ ...@@ -75,12 +75,12 @@
<complexType name="slater_determinantType"> <complexType name="slater_determinantType">
<sequence minOccurs="0"> <sequence minOccurs="0">
<element name="density_matrix" type="qbox:density_matrixType"/> <element name="density_matrix" type="fpmd:density_matrixType"/>
<element name="grid_function" type="qbox:grid_functionType" <element name="grid_function" type="fpmd:grid_functionType"
maxOccurs="unbounded"/> maxOccurs="unbounded"/>
</sequence> </sequence>
<attribute name="spin" type="qbox:spinType" use="optional"/> <attribute name="spin" type="fpmd:spinType" use="optional"/>
<attribute name="kpoint" type="qbox:d3vectorType" use="required"/> <attribute name="kpoint" type="fpmd:d3vectorType" use="required"/>
<attribute name="weight" type="double" use="required"/> <attribute name="weight" type="double" use="required"/>
<attribute name="size" type="positiveInteger" use="required"/> <attribute name="size" type="positiveInteger" use="required"/>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
...@@ -112,9 +112,9 @@ ...@@ -112,9 +112,9 @@
<complexType name="vectorType"> <complexType name="vectorType">
<simpleContent> <simpleContent>
<extension base="string"> <extension base="string">
<attribute name="type" type="qbox:numericType" use="required"/> <attribute name="type" type="fpmd:numericType" use="required"/>
<attribute name="size" type="positiveInteger" use="required"/> <attribute name="size" type="positiveInteger" use="required"/>
<attribute name="encoding" type="qbox:encodingType" use="required"/> <attribute name="encoding" type="fpmd:encodingType" use="required"/>
</extension> </extension>
</simpleContent> </simpleContent>
</complexType> </complexType>
...@@ -136,14 +136,14 @@ ...@@ -136,14 +136,14 @@
<complexType name="grid_functionType"> <complexType name="grid_functionType">
<simpleContent> <simpleContent>
<extension base="string"> <extension base="string">
<attribute name="type" type="qbox:numericType" use="required"/> <attribute name="type" type="fpmd:numericType" use="required"/>
<attribute name="nx" type="positiveInteger" use="required"/> <attribute name="nx" type="positiveInteger" use="required"/>
<attribute name="ny" type="positiveInteger" use="required"/> <attribute name="ny" type="positiveInteger" use="required"/>
<attribute name="nz" type="positiveInteger" use="required"/> <attribute name="nz" type="positiveInteger" use="required"/>
<attribute name="x0" type="nonNegativeInteger" default="0"/> <attribute name="x0" type="nonNegativeInteger" default="0"/>
<attribute name="y0" type="nonNegativeInteger" default="0"/> <attribute name="y0" type="nonNegativeInteger" default="0"/>
<attribute name="z0" type="nonNegativeInteger" default="0"/> <attribute name="z0" type="nonNegativeInteger" default="0"/>
<attribute name="encoding" type="qbox:encodingType" use="required"/> <attribute name="encoding" type="fpmd:encodingType" use="required"/>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
</extension> </extension>
</simpleContent> </simpleContent>
...@@ -155,8 +155,8 @@ ...@@ -155,8 +155,8 @@
<complexType name="density_matrixType"> <complexType name="density_matrixType">
<simpleContent> <simpleContent>
<extension base="qbox:doubleListType"> <extension base="fpmd:doubleListType">
<attribute name="form" type="qbox:density_matrix_formType" use="required"/> <attribute name="form" type="fpmd:density_matrix_formType" use="required"/>
<attribute name="size" type="positiveInteger" use="required"/> <attribute name="size" type="positiveInteger" use="required"/>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
</extension> </extension>
......
<?xml version="1.0"?> <?xml version="1.0"?>
<schema xmlns="http://www.w3.org/2001/XMLSchema" <schema xmlns="http://www.w3.org/2001/XMLSchema"
targetNamespace="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" targetNamespace="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:qbox="http://www.llnl.gov/casc/fpmd/qbox/ns/qbox-1.0" xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
xmlns:xlink="http://www.w3.org/1999/xlink"> xmlns:xlink="http://www.w3.org/1999/xlink">
<annotation> <annotation>
<documentation> $Id: species.xsd,v 1.2 2004-05-04 21:49:41 fgygi Exp $ <documentation> $Id: species.xsd,v 1.3 2006-03-07 07:42:46 fgygi Exp $
Qbox atomic species specification schema. Qbox atomic species specification schema.
Francois Gygi, Lawrence Livermore National Laboratory. Francois Gygi, Lawrence Livermore National Laboratory.
Copyright (c) 2003-2004 The Regents of the University of California. Copyright (c) 2003-2004 The Regents of the University of California.
...@@ -14,16 +14,16 @@ ...@@ -14,16 +14,16 @@
<import namespace="http://www.w3.org/1999/xlink" schemaLocation="xlink.xsd"/> <import namespace="http://www.w3.org/1999/xlink" schemaLocation="xlink.xsd"/>
<element name="species" type="qbox:speciesType"/> <element name="species" type="fpmd:speciesType"/>
<complexType name="speciesType"> <complexType name="speciesType">
<sequence minOccurs="0"> <sequence minOccurs="0">
<element name="description" type="string" minOccurs="0" maxOccurs="1"/> <element name="description" type="string" minOccurs="0" maxOccurs="1"/>
<element name="symbol" type="NMTOKEN"/> <element name="symbol" type="NMTOKEN"/>
<element name="atomic_number" type="nonNegativeInteger"/> <element name="atomic_number" type="nonNegativeInteger"/>
<element name="mass" type="qbox:positiveDouble"/> <element name="mass" type="fpmd:positiveDouble"/>
<element name="norm_conserving_pseudopotential" minOccurs="0" maxOccurs="1" <element name="norm_conserving_pseudopotential" minOccurs="0" maxOccurs="1"
type="qbox:norm_conserving_pseudopotentialType"/> type="fpmd:norm_conserving_pseudopotentialType"/>
</sequence> </sequence>
<attribute name="name" type="NMTOKEN" use="optional"/> <attribute name="name" type="NMTOKEN" use="optional"/>
<attribute ref="xlink:href" use="optional"/> <attribute ref="xlink:href" use="optional"/>
...@@ -35,8 +35,8 @@ ...@@ -35,8 +35,8 @@
<element name="lmax" type="nonNegativeInteger"/> <element name="lmax" type="nonNegativeInteger"/>
<element name="llocal" type="nonNegativeInteger"/> <element name="llocal" type="nonNegativeInteger"/>
<element name="nquad" type="nonNegativeInteger"/> <element name="nquad" type="nonNegativeInteger"/>
<element name="rquad" type="qbox:nonNegativeDouble"/> <element name="rquad" type="fpmd:nonNegativeDouble"/>
<element name="mesh_spacing" type="qbox:positiveDouble"/> <element name="mesh_spacing" type="fpmd:positiveDouble"/>
<element name="projector" minOccurs="1" maxOccurs="unbounded"> <element name="projector" minOccurs="1" maxOccurs="unbounded">
<complexType> <complexType>
<sequence> <sequence>
......
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