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Commit da6bbcdd authored by Gareth Tribello's avatar Gareth Tribello
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Added regtests for upper and lower walls

parent 8a0d8b33
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#! FIELDS time uwall.bias uwall.force2 lwall.bias lwall.force2
0.000000 0.062 4.935 0.797 127.597
0.050000 0.119 9.505 0.298 47.693
0.100000 0.131 10.488 0.070 11.261
0.150000 0.104 8.287 0.007 1.149
0.200000 0.106 8.463 0.006 0.882
../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"
ang1: ANGLE ATOMS=2,6,3
ang2: ANGLE ATOMS=2,6,7,3
UPPER_WALLS ARG=ang1 AT=0.3 KAPPA=20.0 LABEL=uwall
LOWER_WALLS ARG=ang2 AT=0.2 KAPPA=40.0 EXP=4 EPS=0.3 OFFSET=0.1 LABEL=lwall
PRINT ...
STRIDE=10
ARG=uwall.bias,uwall.force2,lwall.bias,lwall.force2
FILE=COLVAR FMT=%6.3f
... PRINT
ENDPLUMED
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