qmcpack/schema/numerics.xsd

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1.6 KiB
XML
Executable File

<?xml version="1.0" encoding="UTF-8"?>
<xs:schema xmlns:xs="http://www.w3.org/2001/XMLSchema" elementFormDefault="qualified" attributeFormDefault="unqualified">
<xs:complexType name="radfuncType">
<xs:annotation>
<xs:documentation>Type representing a radial functor, generic function on a one-dimensional grid
</xs:documentation>
</xs:annotation>
<xs:simpleContent>
<xs:extension base="xs:string">
<xs:attribute name="id" type="xs:string"></xs:attribute>
<xs:attribute name="exponent" type="xs:double" default="0.0"/>
<xs:attribute name="contraction" type="xs:double" default="1.0"/>
<xs:attribute name="node" type="xs:integer" default="1"/>
<xs:attribute name="rcut" type="xs:double" use="optional" default="10"></xs:attribute>
</xs:extension>
</xs:simpleContent>
</xs:complexType>
<xs:complexType name="gridType">
<xs:simpleContent>
<xs:extension base="xs:string">
<xs:attribute name="ri" type="xs:double" default="1.e-6"/>
<xs:attribute name="rf" type="xs:double" default="1.e2"/>
<xs:attribute name="npts" type="xs:integer" default="1001"/>
<xs:attribute name="src" type="xs:string"/>
<xs:attribute name="type" default="log">
<xs:simpleType>
<xs:restriction base="xs:NMTOKEN">
<xs:enumeration value="log"/>
<xs:enumeration value="linear"/>
<xs:enumeration value="numerical"/>
</xs:restriction>
</xs:simpleType>
</xs:attribute>
</xs:extension>
</xs:simpleContent>
</xs:complexType>
</xs:schema>