Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
https://github.com/QMCPACK/qmcpack/pull/5063#discussion_r1655626388
Needs visiting. Right now MCpopulation::saveWalkerConfigurations seems showing two source of truth.
Walker configuration can be source from walker_elec_particle_sets_ and walkers_.
Better clearly define the scope of both objects when data is up-to-date.
https://github.com/QMCPACK/qmcpack/pull/5063#discussion_r1655626388 Needs visiting. Right now
MCpopulation::saveWalkerConfigurationsseems showing two source of truth. Walker configuration can be source fromwalker_elec_particle_sets_andwalkers_. Better clearly define the scope of both objects when data is up-to-date.