Updated reference with fixed potential-shift dispcorr
commitba3dcd572816057ae36dec50220db1717907cbb2
authorErik Lindahl <erik@kth.se>
Wed, 21 May 2014 23:07:46 +0000 (22 01:07 +0200)
committerErik Lindahl <erik@kth.se>
Wed, 21 May 2014 23:07:46 +0000 (22 01:07 +0200)
tree755866a324294a612ac836feacde76fd41198fae
parentc97f2ec6e365a9d3f743974a250bf701cc947514
Updated reference with fixed potential-shift dispcorr

New reference energy files (single and double) that use the
proper potential-shift dispersion correction. It also fixes
a typo in the reference grompp output.

Refs. #1463.

Change-Id: If422a4326faede476ccb32be5a9da332e92f2b71
26 files changed:
complex/nbnxn_pme/reference_d.edr
complex/nbnxn_pme/reference_s.edr
complex/nbnxn_rf/reference_d.edr
complex/nbnxn_rf/reference_s.edr
freeenergy/coulandvdwsequential_coul/reference_d.edr
freeenergy/coulandvdwsequential_coul/reference_s.edr
freeenergy/coulandvdwsequential_vdw/reference_d.edr
freeenergy/coulandvdwsequential_vdw/reference_s.edr
freeenergy/coulandvdwtogether/reference_d.edr
freeenergy/coulandvdwtogether/reference_s.edr
freeenergy/expanded/reference.warn
kernel/nb_kernel_ElecEwSw_VdwBhamSw_GeomP1P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwBhamSw_GeomW3W3/reference.warn
kernel/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4/reference.warn
kernel/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3/reference.warn
kernel/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4/reference.warn
kernel/nb_kernel_ElecEwSw_VdwNone_GeomP1P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwNone_GeomW3P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwNone_GeomW3W3/reference.warn
kernel/nb_kernel_ElecEwSw_VdwNone_GeomW4P1/reference.warn
kernel/nb_kernel_ElecEwSw_VdwNone_GeomW4W4/reference.warn