ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-01-12 01:37:48 +00:00
parent 18b20f9c51
commit 2c643b7dc5
391 changed files with 2856 additions and 2809 deletions
Download Patch File Download Diff File Expand all files Collapse all files

56
src/force.cpp
View File

@ -15,6 +15,12 @@
#include "string.h"
#include "ctype.h"
#include "force.h"
#include "style_bond.h"
#include "style_angle.h"
#include "style_dihedral.h"
#include "style_improper.h"
#include "style_pair.h"
#include "style_kspace.h"
#include "atom.h"
#include "comm.h"
#include "pair.h"
@ -29,20 +35,6 @@
#include "memory.h"
#include "error.h"
#define BondInclude
#define AngleInclude
#define DihedralInclude
#define ImproperInclude
#define PairInclude
#define KSpaceInclude
#include "style.h"
#undef BondInclude
#undef AngleInclude
#undef DihedralInclude
#undef ImproperInclude
#undef PairInclude
#undef KSpaceInclude
using namespace LAMMPS_NS;
#define MIN(a,b) ((a) < (b) ? (a) : (b))
@ -142,11 +134,11 @@ Pair *Force::new_pair(const char *style)
{
if (strcmp(style,"none") == 0) return NULL;
#define PairClass
#define PAIR_CLASS
#define PairStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style.h"
#undef PairClass
#include "style_pair.h"
#undef PAIR_CLASS
else error->all("Invalid pair style");
return NULL;
@ -220,11 +212,11 @@ Bond *Force::new_bond(const char *style)
{
if (strcmp(style,"none") == 0) return NULL;
#define BondClass
#define BOND_CLASS
#define BondStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style.h"
#undef BondClass
#include "style_bond.h"
#undef BOND_CLASS
else error->all("Invalid bond style");
return NULL;
@ -268,11 +260,11 @@ Angle *Force::new_angle(const char *style)
{
if (strcmp(style,"none") == 0) return NULL;
#define AngleClass
#define ANGLE_CLASS
#define AngleStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style.h"
#undef AngleClass
#include "style_angle.h"
#undef ANGLE_CLASS
else error->all("Invalid angle style");
return NULL;
@ -301,11 +293,11 @@ Dihedral *Force::new_dihedral(const char *style)
{
if (strcmp(style,"none") == 0) return NULL;
#define DihedralClass
#define DIHEDRAL_CLASS
#define DihedralStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style.h"
#undef DihedralClass
#include "style_dihedral.h"
#undef DIHEDRAL_CLASS
else error->all("Invalid dihedral style");
return NULL;
@ -334,11 +326,11 @@ Improper *Force::new_improper(const char *style)
{
if (strcmp(style,"none") == 0) return NULL;
#define ImproperClass
#define IMPROPER_CLASS
#define ImproperStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style.h"
#undef ImproperClass
#include "style_improper.h"
#undef IMPROPER_CLASS
else error->all("Invalid improper style");
return NULL;
@ -355,11 +347,11 @@ void Force::create_kspace(int narg, char **arg)
if (strcmp(arg[0],"none") == 0) kspace = NULL;
#define KSpaceClass
#define KSPACE_CLASS
#define KSpaceStyle(key,Class) \
else if (strcmp(arg[0],#key) == 0) kspace = new Class(lmp,narg-1,&arg[1]);
#include "style.h"
#undef KSpaceClass
#include "style_kspace.h"
#undef KSPACE_CLASS
else error->all("Invalid kspace style");