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Axel Kohlmeyer 2019-01-24 10:49:47 -05:00
parent 89a3f60289
commit 5c09732dc3
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doc/src/pair_fep_soft.txt
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@ -131,7 +131,7 @@ pair_coeff 1 1 100.0 2.0 1.5 1.0 3.0 :pre
[Description:]
These pair styles have a soft repulsive core, tuneable by a parameter lambda,
These pair styles have a soft repulsive core, tunable by a parameter lambda,
in order to avoid singularities during free energy calculations when sites are
created or annihilated "(Beutler)"_#Beutler. When lambda tends to 0 the pair
interaction vanishes with a soft repulsive core. When lambda tends to 1, the pair
@ -324,7 +324,7 @@ cutoffs greater than 2.5 sigma and alpha_LJ = 0.5, the error affecting the tail
correction is below 0.2% when lambda = 0 (worse case). This error disappears as
lambda approaches 1. Note that this is the error affecting the long-range tail
(itself a correction to the interaction energy) which includes other
approximations, namely that the system is homogenous (local density equal the
approximations, namely that the system is homogeneous (local density equal the
average density) beyond the cutoff.
The {morse/soft} pair style does not support the "pair_modify"_pair_modify.html