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

nexus: update examples

This commit is contained in:
Jaron Krogel 2022-09-22 13:04:05 -04:00
parent 80e7ce9dfc
commit a3bb23e2f0
11 changed files with 11 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/H2O/runs/dmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="dmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/H2O/runs/opt.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="opt" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/LiH/runs/dmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="dmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/LiH/runs/opt.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="opt" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/c20/runs/c20/opt/opt.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="opt" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/c20/runs/c20/qmc/qmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="qmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/diamond/runs/diamond/vmc/vmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="vmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/graphene/runs/graphene/opt/opt.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="opt" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/graphene/runs/graphene/qmc/qmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="qmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/oxygen_dimer/scale_1.0/opt.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="opt" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>

1
nexus/tests/reference/user_examples/qmcpack/rsqmc_misc/oxygen_dimer/scale_1.0/qmc.in.xml
View File

@ -2,6 +2,7 @@
<simulation>
<project id="qmc" series="0">
<application name="qmcpack" role="molecu" class="serial" version="1.0"/>
<parameter name="driver_version"> legacy </parameter>
</project>
<qmcsystem>
<simulationcell>