QMCPACK / QMCPACK/qmcpack

Add force to CoulombPotential.cpp

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#1,565 2 comments 0 reactions 1 assignee Claimed by @rcclay View on GitHub
enhancement force
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 13h
Merged PRs (30d)
90

Description

Forces have not been implemented for CoulombPotential.cpp. This means that in open boundary conditions, ion-ion forces or e-I forces for all-electron calculations will not be computed and included in the ACForce estimator.

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