no need to cast fixes to specific styles/types (51910715) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_bond_react.cpp

+4 −5

Original line number	Diff line number	Diff line
		@@ -37,7 +37,6 @@ Contributing Author: Jacob Gissinger (jacob.gissinger@colorado.edu)
		#include "error.h"
		#include "molecule.h"
		#include "group.h"
		#include "fix_nve_limit.h"
		#include <algorithm>

		using namespace LAMMPS_NS;
		@@ -402,7 +401,7 @@ void FixBondReact::post_constructor()
		newarg[4] = (char *) "ghost";
		newarg[5] = (char *) "yes";
		modify->add_fix(6,newarg);
		fix2 = (FixPropertyAtom *) modify->fix[modify->nfix-1];
		fix2 = modify->fix[modify->nfix-1];
		delete [] newarg;
		}

		@@ -445,7 +444,7 @@ void FixBondReact::post_constructor()
		newarg[4] = (char *) "ghost";
		newarg[5] = (char *) "yes";
		modify->add_fix(6,newarg);
		fix3 = (FixPropertyAtom *) modify->fix[modify->nfix-1];
		fix3 = modify->fix[modify->nfix-1];
		delete [] newarg;
		}

		@@ -486,7 +485,7 @@ void FixBondReact::post_constructor()
		newarg[2] = (char *) "nve/limit";
		newarg[3] = nve_limit_xmax;
		modify->add_fix(4,newarg);
		fix1 = (FixNVELimit *) modify->fix[modify->nfix-1];
		fix1 = modify->fix[modify->nfix-1];
		delete [] newarg;
		}

		@@ -509,7 +508,7 @@ void FixBondReact::post_constructor()
		newarg[4] = (char *) "ghost";
		newarg[5] = (char *) "yes";
		modify->add_fix(6,newarg);
		fix4 = (FixPropertyAtom *) modify->fix[modify->nfix-1];
		fix4 = modify->fix[modify->nfix-1];
		delete [] newarg;
		}

+4 −4

Original line number	Diff line number	Diff line
		@@ -75,10 +75,10 @@ class FixBondReact : public Fix {

		class Molecule *onemol; // pre-reacted molecule template
		class Molecule *twomol; // post-reacted molecule template
		class FixNVELimit *fix1; // used to relax reaction sites
		class FixPropertyAtom *fix2; // used to indicate relaxing atoms
		class FixPropertyAtom *fix3; // used to indicate system-wide thermostat
		class FixPropertyAtom *fix4; // indicates to which 'react' atom belongs
		Fix *fix1; // used to relax reaction sites
		Fix *fix2; // used to indicate relaxing atoms
		Fix *fix3; // used to indicate system-wide thermostat
		Fix *fix4; // indicates to which 'react' atom belongs
		class RanMars **random;
		class NeighList *list;