(209f169c) · Commits · 郑智淋 / lammps

src/CLASS2/Install.csh

+2 −4

Original line number	Diff line number	Diff line
		# Install/unInstall package classes in LAMMPS

		# pair_lj_class2_coul_long.h must always be in src

		if ($1 == 1) then

		cp style_class2.h ..
		@@ -22,7 +20,7 @@ if ($1 == 1) then

		cp pair_lj_class2.h ..
		cp pair_lj_class2_coul_cut.h ..
		# cp pair_lj_class2_coul_long.h ..
		cp pair_lj_class2_coul_long.h ..

		else if ($1 == 0) then

		@@ -45,6 +43,6 @@ else if ($1 == 0) then

		rm ../pair_lj_class2.h
		rm ../pair_lj_class2_coul_cut.h
		# rm ../pair_lj_class2_coul_long.h
		rm ../pair_lj_class2_coul_long.h

		endif

+9 −5

Original line number	Diff line number	Diff line
		/* ----------------------------------------------------------------------
		LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
		www.cs.sandia.gov/~sjplimp/lammps.html
		Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
		http://lammps.sandia.gov, Sandia National Laboratories
		Steve Plimpton, sjplimp@sandia.gov

		Copyright (2003) Sandia Corporation. Under the terms of Contract
		DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
		@@ -26,11 +26,15 @@
		#include "memory.h"
		#include "error.h"

		using namespace LAMMPS_NS;

		#define SMALL 0.001

		/* ----------------------------------------------------------------------
		free all arrays
		------------------------------------------------------------------------- */
		/* ---------------------------------------------------------------------- */

		AngleClass2::AngleClass2(LAMMPS *lmp) : Angle(lmp) {}

		/* ---------------------------------------------------------------------- */

		AngleClass2::~AngleClass2()
		{

+7 −3

Original line number	Diff line number	Diff line
		/* ----------------------------------------------------------------------
		LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
		www.cs.sandia.gov/~sjplimp/lammps.html
		Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
		http://lammps.sandia.gov, Sandia National Laboratories
		Steve Plimpton, sjplimp@sandia.gov

		Copyright (2003) Sandia Corporation. Under the terms of Contract
		DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
		@@ -17,9 +17,11 @@
		#include "stdio.h"
		#include "angle.h"

		namespace LAMMPS_NS {

		class AngleClass2 : public Angle {
		public:
		AngleClass2() {}
		AngleClass2(class LAMMPS *);
		~AngleClass2();
		void compute(int, int);
		void coeff(int, int, char **);
		@@ -36,4 +38,6 @@ class AngleClass2 : public Angle {
		void allocate();
		};

		}

		#endif

+9 −5

Original line number	Diff line number	Diff line
		/* ----------------------------------------------------------------------
		LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
		www.cs.sandia.gov/~sjplimp/lammps.html
		Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
		http://lammps.sandia.gov, Sandia National Laboratories
		Steve Plimpton, sjplimp@sandia.gov

		Copyright (2003) Sandia Corporation. Under the terms of Contract
		DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
		@@ -26,9 +26,13 @@
		#include "memory.h"
		#include "error.h"

		/* ----------------------------------------------------------------------
		free all arrays
		------------------------------------------------------------------------- */
		using namespace LAMMPS_NS;

		/* ---------------------------------------------------------------------- */

		BondClass2::BondClass2(LAMMPS *lmp) : Bond(lmp) {}

		/* ---------------------------------------------------------------------- */

		BondClass2::~BondClass2()
		{

+7 −3

Original line number	Diff line number	Diff line
		/* ----------------------------------------------------------------------
		LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
		www.cs.sandia.gov/~sjplimp/lammps.html
		Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
		http://lammps.sandia.gov, Sandia National Laboratories
		Steve Plimpton, sjplimp@sandia.gov

		Copyright (2003) Sandia Corporation. Under the terms of Contract
		DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
		@@ -17,9 +17,11 @@
		#include "stdio.h"
		#include "bond.h"

		namespace LAMMPS_NS {

		class BondClass2 : public Bond {
		public:
		BondClass2() {}
		BondClass2(class LAMMPS *);
		~BondClass2();
		void compute(int, int);
		void coeff(int, char **);
		@@ -34,4 +36,6 @@ class BondClass2 : public Bond {
		void allocate();
		};

		}

		#endif