apply new utility function to most places creating new styles (d640c712) · Commits · 郑智淋 / lammps

src/atom.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -39,6 +39,7 @@
		#include "math_const.h"
		#include "memory.h"
		#include "error.h"
		#include "utils.h"

		#ifdef LMP_USER_INTEL
		#include "neigh_request.h"
		@@ -509,7 +510,7 @@ AtomVec Atom::new_avec(const char style, int trysuffix, int &sflag)
		return avec_creator(lmp);
		}

		error->all(FLERR,"Unknown atom style");
		error->all(FLERR,utils::check_packages_for_style("atom",style,lmp).c_str());
		return NULL;
		}

src/atom_vec_body.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -25,6 +25,7 @@
		#include "fix.h"
		#include "memory.h"
		#include "error.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

		@@ -96,7 +97,7 @@ void AtomVecBody::process_args(int narg, char **arg)
		#undef BodyStyle
		#undef BODY_CLASS

		else error->all(FLERR,"Unknown body style");
		else error->all(FLERR,utils::check_packages_for_style("body",arg[0],lmp).c_str());

		bptr->avec = this;
		icp = bptr->icp;

src/domain.cpp

+5 −3

Original line number	Diff line number	Diff line
		@@ -40,6 +40,7 @@
		#include "math_const.h"
		#include "memory.h"
		#include "error.h"
		#include "utils.h"

		using namespace LAMMPS_NS;
		using namespace MathConst;
		@@ -1714,6 +1715,9 @@ void Domain::add_region(int narg, char **arg)
		return;
		}

		if (strcmp(arg[1],"none") == 0)
		error->all(FLERR,"Unrecognized region style 'none'");

		if (find_region(arg[0]) >= 0) error->all(FLERR,"Reuse of region ID");

		// extend Region list if necessary
		@@ -1752,12 +1756,10 @@ void Domain::add_region(int narg, char **arg)
		}
		}

		if (strcmp(arg[1],"none") == 0) error->all(FLERR,"Unknown region style");
		if (region_map->find(arg[1]) != region_map->end()) {
		RegionCreator region_creator = (*region_map)[arg[1]];
		regions[nregion] = region_creator(lmp, narg, arg);
		}
		else error->all(FLERR,"Unknown region style");
		} else error->all(FLERR,utils::check_packages_for_style("region",arg[1],lmp).c_str());

		// initialize any region variables via init()
		// in case region is used between runs, e.g. to print a variable

src/force.cpp

+6 −18

Original line number	Diff line number	Diff line
		@@ -258,9 +258,7 @@ Pair Force::new_pair(const char style, int trysuffix, int &sflag)
		return pair_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown pair style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("pair",style,lmp).c_str());

		return NULL;
		}
		@@ -373,9 +371,7 @@ Bond Force::new_bond(const char style, int trysuffix, int &sflag)
		return bond_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown bond style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("bond",style,lmp).c_str());

		return NULL;
		}
		@@ -454,9 +450,7 @@ Angle Force::new_angle(const char style, int trysuffix, int &sflag)
		return angle_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown angle style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("angle",style,lmp).c_str());

		return NULL;
		}
		@@ -536,9 +530,7 @@ Dihedral Force::new_dihedral(const char style, int trysuffix, int &sflag)
		return dihedral_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown dihedral style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("dihedral",style,lmp).c_str());

		return NULL;
		}
		@@ -617,9 +609,7 @@ Improper Force::new_improper(const char style, int trysuffix, int &sflag)
		return improper_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown improper style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("improper",style,lmp).c_str());

		return NULL;
		}
		@@ -702,9 +692,7 @@ KSpace Force::new_kspace(const char style, int trysuffix, int &sflag)
		return kspace_creator(lmp);
		}

		char str[128];
		sprintf(str,"Unknown kspace style %s",style);
		error->all(FLERR,str);
		error->all(FLERR,utils::check_packages_for_style("kspace",style,lmp).c_str());

		return NULL;
		}

src/modify.cpp

+4 −10

Original line number	Diff line number	Diff line
		@@ -893,11 +893,8 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
		fix[ifix] = fix_creator(lmp,narg,arg);
		}

		if (fix[ifix] == NULL) {
		char str[128];
		snprintf(str,128,"Unknown fix style %s",arg[2]);
		error->all(FLERR,str);
		}
		if (fix[ifix] == NULL)
		error->all(FLERR,utils::check_packages_for_style("fix",arg[2],lmp).c_str());

		// check if Fix is in restart_global list
		// if yes, pass state info to the Fix so it can reset itself
		@@ -1195,11 +1192,8 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
		compute[ncompute] = compute_creator(lmp,narg,arg);
		}

		if (compute[ncompute] == NULL) {
		char str[128];
		snprintf(str,128,"Unknown compute style %s",arg[2]);
		error->all(FLERR,str);
		}
		if (compute[ncompute] == NULL)
		error->all(FLERR,utils::check_packages_for_style("compute",arg[2],lmp).c_str());

		ncompute++;
		}

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