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remove trailing whitespace

This commit is contained in:
Axel Kohlmeyer 2019-04-05 06:11:06 -04:00
parent 76dfcc1dfd
commit 4f026b9b38
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
5 changed files with 10 additions and 10 deletions
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2
src/USER-REAXC/fix_reaxc.cpp
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@ -41,7 +41,7 @@ FixReaxC::FixReaxC(LAMMPS *lmp,int narg, char **arg) :
{ {
// perform initial allocation of atom-based arrays // perform initial allocation of atom-based arrays
// register with atom class // register with atom class
oldnmax = 0; oldnmax = 0;
num_bonds = NULL; num_bonds = NULL;
num_hbonds = NULL; num_hbonds = NULL;

4
src/USER-REAXC/reaxc_ffield.cpp
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@ -151,7 +151,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
/* Sanity checks */ /* Sanity checks */
if (c == 2 && !lgflag) if (c == 2 && !lgflag)
control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'"); control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");
if (c < 9) { if (c < 9) {
snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s); snprintf (errmsg, 1024, "Missing parameter(s) in line %s", s);
control->error_ptr->all(FLERR, errmsg); control->error_ptr->all(FLERR, errmsg);
@ -320,7 +320,7 @@ char Read_Force_Field( FILE *fp, reax_interaction *reax,
if (c == 2 && !lgflag) { if (c == 2 && !lgflag) {
control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'"); control->error_ptr->all(FLERR, "Force field file requires using 'lgvdw yes'");
} }
l = atoi(tmp[0]); l = atoi(tmp[0]);
/* a line of comments */ /* a line of comments */

8
src/USER-REAXC/reaxc_init_md.cpp
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@ -236,21 +236,21 @@ void Initialize( reax_system *system, control_params *control,
if (Init_Workspace( system, control, workspace, msg ) == if (Init_Workspace( system, control, workspace, msg ) ==
FAILURE) { FAILURE) {
control->error_ptr->one(FLERR,"Workspace could not be initialized"); control->error_ptr->one(FLERR,"Workspace could not be initialized");
} }
if (Init_Lists( system, control, data, workspace, lists, mpi_data, msg ) == if (Init_Lists( system, control, data, workspace, lists, mpi_data, msg ) ==
FAILURE) { FAILURE) {
control->error_ptr->one(FLERR,"Lists could not be initialized"); control->error_ptr->one(FLERR,"Lists could not be initialized");
} }
if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) { if (Init_Output_Files(system,control,out_control,mpi_data,msg)== FAILURE) {
control->error_ptr->one(FLERR,"Could not open output files"); control->error_ptr->one(FLERR,"Could not open output files");
} }
if (control->tabulate) { if (control->tabulate) {
if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) { if (Init_Lookup_Tables( system, control, workspace, mpi_data, msg ) == FAILURE) {
control->error_ptr->one(FLERR,"Lookup table could not be created"); control->error_ptr->one(FLERR,"Lookup table could not be created");
} }
} }

4
src/USER-REAXC/reaxc_reset_tools.cpp
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@ -144,7 +144,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
if (total_bonds >= bonds->num_intrs * DANGER_ZONE) { if (total_bonds >= bonds->num_intrs * DANGER_ZONE) {
workspace->realloc.bonds = 1; workspace->realloc.bonds = 1;
if (total_bonds >= bonds->num_intrs) { if (total_bonds >= bonds->num_intrs) {
char errmsg[256]; char errmsg[256];
snprintf(errmsg, 256, "Not enough space for bonds! total=%d allocated=%d\n", snprintf(errmsg, 256, "Not enough space for bonds! total=%d allocated=%d\n",
total_bonds, bonds->num_intrs); total_bonds, bonds->num_intrs);
control->error_ptr->one(FLERR, errmsg); control->error_ptr->one(FLERR, errmsg);
@ -170,7 +170,7 @@ void Reset_Neighbor_Lists( reax_system *system, control_params *control,
if (total_hbonds >= hbonds->num_intrs * 0.90/*DANGER_ZONE*/) { if (total_hbonds >= hbonds->num_intrs * 0.90/*DANGER_ZONE*/) {
workspace->realloc.hbonds = 1; workspace->realloc.hbonds = 1;
if (total_hbonds >= hbonds->num_intrs) { if (total_hbonds >= hbonds->num_intrs) {
char errmsg[256]; char errmsg[256];
snprintf(errmsg, 256, "Not enough space for hbonds! total=%d allocated=%d\n", snprintf(errmsg, 256, "Not enough space for hbonds! total=%d allocated=%d\n",
total_hbonds, hbonds->num_intrs); total_hbonds, hbonds->num_intrs);
control->error_ptr->one(FLERR, errmsg); control->error_ptr->one(FLERR, errmsg);

2
src/USER-REAXC/reaxc_types.h
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@ -491,7 +491,7 @@ typedef struct
int lgflag; int lgflag;
int enobondsflag; int enobondsflag;
class LAMMPS_NS::Error *error_ptr; class LAMMPS_NS::Error *error_ptr;
int me; int me;
} control_params; } control_params;