Store dHdL for all neighbor lambdas
commit439bff03a472589f9708b93818a57b2602dbb318
authorMagnus Lundborg <lundborg.magnus@gmail.com>
Sun, 23 Feb 2020 16:57:56 +0000 (23 17:57 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 3 Mar 2020 09:37:18 +0000 (3 10:37 +0100)
tree2f38e762421b16fd5922178c751c658949599e19
parentb2c4cc4d8424531f58fe639a648407e5dd505e18
Store dHdL for all neighbor lambdas

This is required for calculating forces along a lambda dimension
in AWH.

Change-Id: Ic5247a53998b1e733858419d20338b5419dd7ae4
src/gromacs/listed_forces/listed_forces.cpp
src/gromacs/listed_forces/listed_forces.h
src/gromacs/listed_forces/position_restraints.cpp
src/gromacs/mdlib/enerdata_utils.cpp
src/gromacs/mdlib/enerdata_utils.h
src/gromacs/mdlib/force.cpp
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdtypes/enerdata.h
src/gromacs/nbnxm/kerneldispatch.cpp