forked from lijiext/lammps
remove trailing whitespace
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76dfcc1dfd
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4f026b9b38
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@ -41,7 +41,7 @@ FixReaxC::FixReaxC(LAMMPS *lmp,int narg, char **arg) :
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{
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// perform initial allocation of atom-based arrays
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// register with atom class
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oldnmax = 0;
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num_bonds = NULL;
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num_hbonds = NULL;
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@ -151,7 +151,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
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/* Sanity checks */
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if (c == 2 && !lgflag)
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control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");
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if (c < 9) {
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snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
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control->error_ptr->all(FLERR, errmsg);
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@ -320,7 +320,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
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if (c == 2 && !lgflag) {
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control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");
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}
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l = atoi(tmp[0]);
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/* a line of comments */
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@ -236,21 +236,21 @@ void Initialize( reax_system *system, control_params *control,
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if (Init_Workspace( system, control, workspace, msg ) ==
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FAILURE) {
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control->error_ptr->one(FLERR,"Workspace could not be initialized");
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control->error_ptr->one(FLERR,"Workspace could not be initialized");
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}
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if (Init_Lists( system, control, data, workspace, lists, mpi_data, msg ) ==
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FAILURE) {
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control->error_ptr->one(FLERR,"Lists could not be initialized");
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control->error_ptr->one(FLERR,"Lists could not be initialized");
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}
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if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) {
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control->error_ptr->one(FLERR,"Could not open output files");
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control->error_ptr->one(FLERR,"Could not open output files");
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}
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if (control->tabulate) {
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if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) {
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control->error_ptr->one(FLERR,"Lookup table could not be created");
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control->error_ptr->one(FLERR,"Lookup table could not be created");
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}
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}
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@ -144,7 +144,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
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if (total_bonds >= bonds->num_intrs * DANGER_ZONE) {
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workspace->realloc.bonds = 1;
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if (total_bonds >= bonds->num_intrs) {
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char errmsg[256];
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char errmsg[256];
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snprintf(errmsg, 256, "Not enough space for bonds! total=%d allocated=%d\n",
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total_bonds, bonds->num_intrs);
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control->error_ptr->one(FLERR, errmsg);
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@ -170,7 +170,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
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if (total_hbonds >= hbonds->num_intrs * 0.90/*DANGER_ZONE*/) {
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workspace->realloc.hbonds = 1;
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if (total_hbonds >= hbonds->num_intrs) {
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char errmsg[256];
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char errmsg[256];
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snprintf(errmsg, 256, "Not enough space for hbonds! total=%d allocated=%d\n",
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total_hbonds, hbonds->num_intrs);
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control->error_ptr->one(FLERR, errmsg);
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@ -491,7 +491,7 @@ typedef struct
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int lgflag;
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int enobondsflag;
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class LAMMPS_NS::Error *error_ptr;
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int me;
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int me;
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} control_params;
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