mirror of https://github.com/QMCPACK/qmcpack.git
66 lines
3.2 KiB
XML
66 lines
3.2 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!-- edited with XMLSPY v5 rel. 4 U (http://www.xmlspy.com) by Jeongnim Kim (University of Illinois) -->
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<xs:schema xmlns:xs="http://www.w3.org/2001/XMLSchema" elementFormDefault="qualified" attributeFormDefault="unqualified">
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<xs:include schemaLocation="http://www.mcc.uiuc.edu/qmc/schema/qmcbase.xsd"/>
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<xs:include schemaLocation="http://www.mcc.uiuc.edu/qmc/schema/particleset.xsd"/>
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<xs:include schemaLocation="http://www.mcc.uiuc.edu/qmc/schema/hamiltonian.xsd"/>
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<xs:include schemaLocation="http://www.mcc.uiuc.edu/qmc/schema/wavefunction.xsd"/>
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<xs:complexType name="qmcType">
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<xs:annotation>
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<xs:documentation>A QMC section</xs:documentation>
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</xs:annotation>
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<xs:sequence>
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<xs:element name="parameter" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="record" type="recordType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="cost" type="parameterType" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="method" use="required">
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<xs:simpleType>
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<xs:restriction base="xs:NMTOKEN">
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<xs:enumeration value="vmc"/>
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<xs:enumeration value="vmc-ptcl"/>
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<xs:enumeration value="vmc-multiple"/>
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<xs:enumeration value="dmc"/>
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<xs:enumeration value="dmc-ptcl"/>
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<xs:enumeration value="rmc"/>
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<xs:enumeration value="rmc-multiple"/>
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<xs:enumeration value="dummy"/>
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</xs:restriction>
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</xs:simpleType>
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</xs:attribute>
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</xs:complexType>
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<xs:element name="simulation">
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<xs:annotation>
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<xs:documentation>Main node to perform QMC simulations</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:sequence>
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<xs:element name="project" type="projectType"/>
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<xs:element name="random" type="randomType" minOccurs="0"/>
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<xs:element name="particleset" type="particleSetType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="include" minOccurs="0" maxOccurs="unbounded">
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<xs:annotation>
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<xs:documentation>include an anyURI that contains qmcsystem</xs:documentation>
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</xs:annotation>
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<xs:complexType>
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<xs:attribute name="href" type="xs:anyURI" use="required"/>
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</xs:complexType>
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</xs:element>
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<xs:element name="wavefunction" type="wavefunctionType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="hamiltonian" type="qmcHamiltonianType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="mcwalkerset" type="hdfFileType" minOccurs="0" maxOccurs="unbounded"/>
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<xs:element name="init" type="genericActionType" minOccurs="0"/>
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<xs:element name="qmc" type="qmcType" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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</xs:complexType>
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</xs:element>
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<xs:complexType name="genericActionType">
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<xs:attribute name="source" type="xs:string" use="optional"/>
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<xs:attribute name="target" type="xs:string" use="optional"/>
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</xs:complexType>
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<xs:complexType name="recordType">
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<xs:attribute name="name" type="xs:string" use="required"/>
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<xs:attribute name="stride" type="xs:integer" use="optional" default="-1"/>
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</xs:complexType>
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</xs:schema>
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