How to get the external plugin for QMCPACK to generate HDF5 file compatible for QMCPACK inputs?

[Aqsa-sk]

Hello,

I want to use CISPSI for QMC calculations using QMCPACK Additional Tools. This lead me to qp_run save_for_qmcpack Myrun.ezfio and on QP2 Documentation, the idea is to use external plugins for QMCPACK.

I am not able to clearly understand how to employ these external plugins so that I can generate an HDF5 file compatible for QMCPACK input generation.

In my current installation qp2/plugins folder contains and local folder which has various local plugins and a README.rst. According to this I can create a plugin with:
qp plugins create -n my_fancy_plugin -r plugins_test/ Since my plugin is save_for_qmcpack, do I still need to provide the details of

1. What do I need to compute what I want, which means what are the objects that I need ?
There are two kind of objects:
the routines/functions:
Ex: Linear algebra routines, integration routines etc ...
the global variables which are called the providers:
Ex: one-electron integrals, Slater determinants, density matrices etc ...
2. Where do I find these objects ?
The objects (routines/functions/providers) are necessarily created in other modules/plugins.

Or simply a command qp plugins create save_for_qmcpack ran in this directory qp2/plugins would work?

Any help will be greatly appreciated!

Thank you!

[scemama]

Hello,
it is not part of QP. It is a plugin developed by the QMCPACK team (https://github.com/QuantumPackage/qmcpack.git) , for their own fork of QP that can handle periodic systems.

Since this fork, our branch of QP has evolved a lot. So I tried to make a plugin starting from theirs removing all the periodic-related things to make it compatible with our QP. I am not a QMCPACK user, so I can't guarantee that everything works fine, but you can git it a try.

To download and install it:

qp plugins download https://gitlab.com/scemama/qp_plugins_scemama
qp plugins install qmcpack
cd $QP_ROOT/src/qmcpack
ninja