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provide lrccs input

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kottmanj committed Jul 12, 2016
1 parent 4c66267 commit 91e63686ce827930b81ad57a5a8d44a89284a6a7
Showing with 25 additions and 5 deletions.
  1. +25 −0 input_example_lrccs
  2. +0 −5 src/examples/input
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@@ -0,0 +1,25 @@
# Rename this file to input
# run lrccs from the MADNESS/src/examples/ directory
dft
xc hf
econv 1.e-5
dconv 1.e-4
end
cc2
thresh 3D 1.e-4
tda econv hard 1.e-4
tda dconv hard 1.e-3
tda guess dipole+
end
geometry
he 0.0 0.0 0.0
end
plot
plane x1 x2
origin 0.0 0.0 0.0
zoom 1.0
end
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