mirror of https://github.com/QMCPACK/qmcpack.git
32 lines
987 B
XML
32 lines
987 B
XML
<?xml version="1.0"?>
|
|
<simulation>
|
|
<project id="heg_SJ_dmc" series="0">
|
|
<application name="qmcapp" class="serial">
|
|
Sample qmc run for Slater-Jastrow HEG.
|
|
</application>
|
|
</project>
|
|
<include href="heg.ptcl.xml"/>
|
|
<include href="heg.sj.wfs.xml"/>
|
|
<include href="heg.H.xml"/>
|
|
<qmc method="vmc" move="pbyp">
|
|
<parameter name="blocks">100</parameter>
|
|
<parameter name="steps">100</parameter>
|
|
<parameter name="warmupsteps"> 100 </parameter>
|
|
<parameter name="tau">5.0</parameter>
|
|
<parameter name="samples">800</parameter>
|
|
<estimator name="LocalEnergy" hdf5="no"/>
|
|
</qmc>
|
|
<qmc method="dmc" move="pbyp">
|
|
<parameter name="blocks">80</parameter>
|
|
<parameter name="steps">100</parameter>
|
|
<parameter name="tau">0.5</parameter>
|
|
<parameter name="targetWalkers">800</parameter>
|
|
</qmc>
|
|
<qmc method="dmc" move="pbyp">
|
|
<parameter name="blocks">800</parameter>
|
|
<parameter name="steps">1000</parameter>
|
|
<parameter name="targetWalkers">800</parameter>
|
|
<parameter name="tau">0.125</parameter>
|
|
</qmc>
|
|
</simulation>
|