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Commit 8bcba885 authored by Gareth Tribello's avatar Gareth Tribello
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Added regtests for metadynamics

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#! FIELDS time mu1 vol md.bias
0.000000 0.000 127.933 0.000
0.050000 0.000 127.933 1.000
0.100000 0.000 127.933 2.000
0.150000 0.000 127.933 3.000
0.200000 0.000 127.933 4.000
0.000 0.000000000 127.932640011 0.100000000 0.200000000 1.000000000 1.000
0.050 0.000000000 127.932640011 0.100000000 0.200000000 1.000000000 1.000
0.100 0.000000000 127.932640011 0.100000000 0.200000000 1.000000000 1.000
0.150 0.000000000 127.932640011 0.100000000 0.200000000 1.000000000 1.000
0.200 0.000000000 127.932640011 0.100000000 0.200000000 1.000000000 1.000
../scripts/test.make
\ No newline at end of file
type=driver
# this is to test a different name
arg="--plumed plumed.dat --stride 10 --timestep 0.005 trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f"
mu1: DIPOLE GROUP=1-10
vol: VOLUME
METAD ARG=mu1,vol SIGMA=0.1,0.2 HEIGHT=1.0 PACE=10 LABEL=md
PRINT ...
STRIDE=1
ARG=mu1,vol,md.bias
FILE=COLVAR FMT=%6.3f
... PRINT
FLUSH STRIDE=100
ENDPLUMED
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