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add info on the exact_rf instruction (#970)
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Signed-off-by: Albert Katbashev <akatbashev@gmail.com>
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Albkat committed Feb 27, 2024
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Expand Up @@ -386,19 +386,28 @@ $opt

*kstretch*='real'::
stretch force constant in model hessian

*kbend*='real'::
bend force constant in model hessian

*ktorsion*='real'::
torsion force constant in model hessian

*koutofp*='real'::
out-of-plain force constant to model hessian

*kvdw*='real'::
additional vdW-contribution (lindh|swart only)

*kes*='real'::
electrostatic contribution to model hessian by EEQ model

*rcut*='real'::
distance cutoff for bonds in model hessian

*exact rf*='bool'::
use better solver during the rational function optimization

$path (6.1 only)
~~~~~~~~~~~~~~~~
*nrun*='int'::
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