Loading doc/minimize.html +4 −4 Original line number Diff line number Diff line Loading @@ -61,8 +61,8 @@ system as a function of the N atom coordinates: <CENTER><IMG SRC = "Eqs/min_energy.jpg"> </CENTER> <P>where the first term is the sum of all non-bonded pairwise interactions including long-range interactions (Coulombic), the 2nd thru fifth terms are bond, angle, dihedral, and improper interactions interactions including long-range Coulombic interactions, the 2nd thru 5th terms are bond, angle, dihedral, and improper interactions respectively, and the last term is constraints due to fixes, such as energy/force interactions with a wall. See the discussion below about which fix commands affect minimization. Loading @@ -70,8 +70,8 @@ which fix commands affect minimization. <P>The starting point for the minimization is the current configuration of the atoms. Note that the minimizer only attempts to find a local energy minimum, not a global minimum. In a mathematical sense, there is no guarantee of even finding a local minimum in some cases with these algorithms. is no guarantee in some cases of even finding a local minimum if the objective function is ill-behaved. </P> <HR> Loading doc/minimize.txt +4 −4 Original line number Diff line number Diff line Loading @@ -58,8 +58,8 @@ system as a function of the N atom coordinates: :c,image(Eqs/min_energy.jpg) where the first term is the sum of all non-bonded pairwise interactions including long-range interactions (Coulombic), the 2nd thru fifth terms are bond, angle, dihedral, and improper interactions interactions including long-range Coulombic interactions, the 2nd thru 5th terms are bond, angle, dihedral, and improper interactions respectively, and the last term is constraints due to fixes, such as energy/force interactions with a wall. See the discussion below about which fix commands affect minimization. Loading @@ -67,8 +67,8 @@ which fix commands affect minimization. The starting point for the minimization is the current configuration of the atoms. Note that the minimizer only attempts to find a local energy minimum, not a global minimum. In a mathematical sense, there is no guarantee of even finding a local minimum in some cases with these algorithms. is no guarantee in some cases of even finding a local minimum if the objective function is ill-behaved. :line Loading Loading
doc/minimize.html +4 −4 Original line number Diff line number Diff line Loading @@ -61,8 +61,8 @@ system as a function of the N atom coordinates: <CENTER><IMG SRC = "Eqs/min_energy.jpg"> </CENTER> <P>where the first term is the sum of all non-bonded pairwise interactions including long-range interactions (Coulombic), the 2nd thru fifth terms are bond, angle, dihedral, and improper interactions interactions including long-range Coulombic interactions, the 2nd thru 5th terms are bond, angle, dihedral, and improper interactions respectively, and the last term is constraints due to fixes, such as energy/force interactions with a wall. See the discussion below about which fix commands affect minimization. Loading @@ -70,8 +70,8 @@ which fix commands affect minimization. <P>The starting point for the minimization is the current configuration of the atoms. Note that the minimizer only attempts to find a local energy minimum, not a global minimum. In a mathematical sense, there is no guarantee of even finding a local minimum in some cases with these algorithms. is no guarantee in some cases of even finding a local minimum if the objective function is ill-behaved. </P> <HR> Loading
doc/minimize.txt +4 −4 Original line number Diff line number Diff line Loading @@ -58,8 +58,8 @@ system as a function of the N atom coordinates: :c,image(Eqs/min_energy.jpg) where the first term is the sum of all non-bonded pairwise interactions including long-range interactions (Coulombic), the 2nd thru fifth terms are bond, angle, dihedral, and improper interactions interactions including long-range Coulombic interactions, the 2nd thru 5th terms are bond, angle, dihedral, and improper interactions respectively, and the last term is constraints due to fixes, such as energy/force interactions with a wall. See the discussion below about which fix commands affect minimization. Loading @@ -67,8 +67,8 @@ which fix commands affect minimization. The starting point for the minimization is the current configuration of the atoms. Note that the minimizer only attempts to find a local energy minimum, not a global minimum. In a mathematical sense, there is no guarantee of even finding a local minimum in some cases with these algorithms. is no guarantee in some cases of even finding a local minimum if the objective function is ill-behaved. :line Loading
