mirror of https://github.com/QMCPACK/qmcpack.git
45 lines
1.8 KiB
XML
Executable File
45 lines
1.8 KiB
XML
Executable File
<?xml version="1.0" encoding="UTF-8"?>
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<xs:schema xmlns:xs="http://www.w3.org/2001/XMLSchema" elementFormDefault="qualified" attributeFormDefault="unqualified">
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<xs:complexType name="qmcHamiltonianType">
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<xs:annotation>
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<xs:documentation>Hamiltonian</xs:documentation>
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</xs:annotation>
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<xs:sequence>
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<xs:element name="pairpot" type="pairOperatorType" minOccurs="0" maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="name" type="xs:string" use="optional"/>
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<xs:attribute name="target" type="xs:string" use="optional" default="e"/>
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<xs:attribute name="type" use="optional" default="generic">
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<xs:simpleType>
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<xs:restriction base="xs:NMTOKEN">
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<xs:enumeration value="generic"/>
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<xs:enumeration value="molecule"/>
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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:complexType name="pairOperatorType">
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<xs:annotation>
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<xs:documentation>
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Represent pair operators that make up a Hamiltonian, e.g., Coulomb potential (coulomb).
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</xs:documentation>
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</xs:annotation>
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<xs:attribute name="name" type="xs:string" use="required"/>
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<xs:attribute name="type" use="required">
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<xs:annotation>
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<xs:documentation>
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Type of a pair operator. Default is the Coulomb interactions of the target particleset.
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</xs:documentation>
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</xs:annotation>
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<xs:simpleType>
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<xs:restriction base="xs:NMTOKEN">
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<xs:enumeration value="coulomb"/>
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<xs:enumeration value="pseudo"/>
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</xs:restriction>
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</xs:simpleType>
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</xs:attribute>
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<xs:attribute name="source" type="xs:string" use="optional" default="e"/>
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<xs:attribute name="target" type="xs:string" use="optional" default="e"/>
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</xs:complexType>
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</xs:schema>
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