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C++ system headers included and enumeration of flip_int used;documentation corrected

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dilkins
2018-10-01 17:13:56 +02:00
parent 21c59d4cf0
commit 799ffc58d9
2 changed files with 18 additions and 18 deletions
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31
src/USER-MISC/fix_ffl.cpp
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@ -22,9 +22,9 @@
------------------------------------------------------------------------- */
#include <mpi.h>
#include <math.h>
#include <string.h>
#include <stdlib.h>
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "fix_ffl.h"
#include "math_extra.h"
#include "atom.h"
@ -91,19 +91,24 @@ FixFFL::FixFFL(LAMMPS *lmp, int narg, char **arg) :
int seed = force->inumeric(FLERR,arg[6]);
// Flip type used, uses rescale if no flip is given
if (narg == 8) strcpy(flip_type,arg[7]);
else strcpy(flip_type,"rescale");
if (narg == 8) {
if (strcmp(arg[7],"no_flip") == 0) {flip_int = 0;}
else if ((strcmp(arg[7],"rescale") == 0) {flip_int = 1;}
else if ((strcmp(arg[7],"hard") == 0) {flip_int = 2;}
else if ((strcmp(arg[7],"soft") == 0) {flip_int = 3;}
else {
error->all(FLERR,"Illegal fix ffl flip type, only accepts : rescale - hard - soft - no_flip");
}
} else {
flip_int = 1;
}
// Tests if the flip type is valid
if ( strcmp(flip_type,"rescale") && strcmp(flip_type,"hard")
&& strcmp(flip_type,"soft") && strcmp(flip_type,"no_flip") )
error->all(FLERR,"Illegal fix ffl flip type, only accepts : rescale - hard - soft - no_flip");
if ( strcmp(flip_type,"no_flip") == 0 ) flip_int = 0;
if ( strcmp(flip_type,"rescale") == 0 ) flip_int = 1;
if ( strcmp(flip_type,"hard") == 0 ) flip_int = 2;
if ( strcmp(flip_type,"soft") == 0 ) flip_int = 3;
// if ( strcmp(flip_type,"no_flip") == 0 ) flip_int = 0;
// if ( strcmp(flip_type,"rescale") == 0 ) flip_int = 1;
// if ( strcmp(flip_type,"hard") == 0 ) flip_int = 2;
// if ( strcmp(flip_type,"soft") == 0 ) flip_int = 3;
t_target=t_start;
const double kT = t_target * force->boltz / force->mvv2e;