scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Simplify examples/molecules/He input files.

This commit is contained in:
Ye Luo 2017-10-03 18:04:16 -05:00
parent a63fa3e677
commit 47e92172ea
4 changed files with 8 additions and 40 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
examples/molecules/He/he_bspline_jastrow.xml
View File

@ -50,16 +50,8 @@
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
<coefficient id="updetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="downdet" spin="-1" size="1">
<coefficient id="downdetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="updet" spin="1" size="1"/>
<determinant id="downdet" spin="-1" size="1"/>
</slaterdeterminant>
</determinantset>
</wavefunction>

12
examples/molecules/He/he_simple.xml
View File

@ -47,16 +47,8 @@
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
<coefficient id="updetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="downdet" spin="-1" size="1">
<coefficient id="downdetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="updet" spin="1" size="1"/>
<determinant id="downdet" spin="-1" size="1"/>
</slaterdeterminant>
</determinantset>
</wavefunction>

12
examples/molecules/He/he_simple_dmc.xml
View File

@ -47,16 +47,8 @@
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
<coefficient id="updetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="downdet" spin="-1" size="1">
<coefficient id="downdetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="updet" spin="1" size="1"/>
<determinant id="downdet" spin="-1" size="1"/>
</slaterdeterminant>
</determinantset>
</wavefunction>

12
examples/molecules/He/he_simple_opt.xml
View File

@ -47,16 +47,8 @@
</atomicBasisSet>
</basisset>
<slaterdeterminant>
<determinant id="updet" spin="1" size="1">
<coefficient id="updetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="downdet" spin="-1" size="1">
<coefficient id="downdetC" type="Array" size="1">
1.0
</coefficient>
</determinant>
<determinant id="updet" spin="1" size="1"/>
<determinant id="downdet" spin="-1" size="1"/>
</slaterdeterminant>
</determinantset>
</wavefunction>