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Commit 1f468153 authored by Giovanni Bussi's avatar Giovanni Bussi
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DO NOT MERGE

This is just to check if lepton gives same results as matheval
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type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --ixyz trajectory.xyz --dump-forces ff --dump-forces-fmt=%10.6f --dump-full-virial"
export PLUMED_USE_LEPTON=yes
type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f"
export PLUMED_USE_LEPTON=yes
type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f"
export PLUMED_USE_LEPTON=yes
mpiprocs=6
type=driver
plumed_needs="matheval"
# this is to test a different name
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --multi 6 --dump-forces-fmt=%8.4f"
export PLUMED_USE_LEPTON=yes
mpiprocs=6
type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f --debug-dd"
export PLUMED_USE_LEPTON=yes
mpiprocs=6
type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --multi 3 --dump-forces-fmt=%8.4f --debug-dd"
export PLUMED_USE_LEPTON=yes
type=driver
# this is to test a different name
arg="--plumed plumed.dat --ixyz trajectory.xyz --dump-forces forces.xyz --dump-forces-fmt=%10.6f"
plumed_needs="matheval"
export PLUMED_USE_LEPTON=yes
type=driver
mpiprocs=2
plumed_needs="matheval"
arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro --dump-forces ff --dump-full-virial --dump-forces-fmt=%7.4f --debug-dd"
export PLUMED_USE_LEPTON=yes
type=driver
plumed_needs="matheval"
arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro --dump-forces ff --dump-full-virial --dump-forces-fmt=%7.4f"
export PLUMED_USE_LEPTON=yes
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