Loading doc/src/pair_fep_soft.txt +2 −2 Original line number Diff line number Diff line Loading @@ -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 Loading Loading @@ -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 Loading Loading
doc/src/pair_fep_soft.txt +2 −2 Original line number Diff line number Diff line Loading @@ -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 Loading Loading @@ -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 Loading
