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Commit fe63e644 authored by Gareth Tribello's avatar Gareth Tribello
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Added find contour action to replace WillardChandler surface action

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regtest/multicolvar/rt-wcsurface/plumed.dat
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...@@ -6,5 +6,4 @@ DUMPMULTICOLVAR DATA=fcc ORIGIN=1 FILE=atoms.xyz PRECISION=4 ...@@ -6,5 +6,4 @@ DUMPMULTICOLVAR DATA=fcc ORIGIN=1 FILE=atoms.xyz PRECISION=4
dens: MULTICOLVARDENS DATA=fcc ORIGIN=1 DIR=xyz NBINS=14,14,28 BANDWIDTH=1.0,1.0,1.0 dens: MULTICOLVARDENS DATA=fcc ORIGIN=1 DIR=xyz NBINS=14,14,28 BANDWIDTH=1.0,1.0,1.0
PRINT_CUBE GRID=dens STRIDE=1 FILE=dens.cube PRINT_CUBE GRID=dens STRIDE=1 FILE=dens.cube
FIND_CONTOUR GRID=dens STRIDE=1 CONTOUR=0.42 FILE=surface.xyz PRECISION=4
WCSURFACE DATA=fcc ORIGIN=1 NBINS=14,14,28 BANDWIDTH=1.0,1.0,1.0 CONTOUR=0.42 FILE=surface.xyz PRECISION=4
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