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remove tabs and trailing whitespace, adjust source format to closer match LAMMPS style

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Axel Kohlmeyer 2020-01-15 12:54:37 -05:00
parent 97bcce77d3
commit a74c3b912b
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2 changed files with 238 additions and 243 deletions
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457
src/USER-MISC/pair_mesocnt.cpp
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24
src/USER-MISC/pair_mesocnt.h
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@ -2,7 +2,7 @@
PairStyle(mesocnt, PairMesoCNT) PairStyle(mesocnt, PairMesoCNT)
#else #else
#ifndef LMP_PAIR_MESOCNT_H #ifndef LMP_PAIR_MESOCNT_H
#define LMP_PAIR_MESOCNT_H #define LMP_PAIR_MESOCNT_H
@ -36,7 +36,7 @@ class PairMesoCNT : public Pair {
double hstart_uinf,hstart_gamma, double hstart_uinf,hstart_gamma,
hstart_phi,psistart_phi,hstart_usemi,xistart_usemi; hstart_phi,psistart_phi,hstart_usemi,xistart_usemi;
double delh_uinf,delh_gamma,delh_phi,delpsi_phi,delh_usemi,delxi_usemi; double delh_uinf,delh_gamma,delh_phi,delpsi_phi,delh_usemi,delxi_usemi;
double p1[3],p2[3],p[3],m[3]; double p1[3],p2[3],p[3],m[3];
double *param,*w,*wnode; double *param,*w,*wnode;
double **dq_w; double **dq_w;
@ -54,7 +54,7 @@ class PairMesoCNT : public Pair {
void sort(int *, int); void sort(int *, int);
void read_file(); void read_file();
void read_data(FILE *, double *, double &, double &, int); void read_data(FILE *, double *, double &, double &, int);
void read_data(FILE *, double **, double &, double &, void read_data(FILE *, double **, double &, double &,
double &, double &, int); double &, double &, int);
void spline_coeff(double *, double **, double, int); void spline_coeff(double *, double **, double, int);
@ -62,18 +62,18 @@ class PairMesoCNT : public Pair {
double spline(double, double, double, double **, int); double spline(double, double, double, double **, int);
double dspline(double, double, double, double **, int); double dspline(double, double, double, double **, int);
double spline(double, double, double, double, double, double, double spline(double, double, double, double, double, double,
double ****, int); double ****, int);
double dxspline(double, double, double, double, double, double, double dxspline(double, double, double, double, double, double,
double ****, int); double ****, int);
double dyspline(double, double, double, double, double, double, double dyspline(double, double, double, double, double, double,
double ****, int); double ****, int);
void geometry(const double *, const double *, const double *, void geometry(const double *, const double *, const double *,
const double *, const double *, const double *, const double *,
double *, double *, double *, double **); double *, double *, double *, double **);
void weight(const double *, const double *, const double *, void weight(const double *, const double *, const double *,
const double *, double &, double *, double *, const double *, double &, double *, double *,
double *, double *); double *, double *);
void finf(const double *, double &, double **); void finf(const double *, double &, double **);
@ -96,7 +96,7 @@ class PairMesoCNT : public Pair {
inline double s5(double x) { inline double s5(double x) {
double x2 = x * x; double x2 = x * x;
return heaviside(-x) return heaviside(-x)
+ heaviside(x)*heaviside(1-x)*(1 - x2*x*(6*x2 - 15*x + 10)); + heaviside(x)*heaviside(1-x)*(1 - x2*x*(6*x2 - 15*x + 10));
} }
@ -202,7 +202,7 @@ Self-explanatory. Check the input script or data file.
E: Pair style mesocnt does not support lj units E: Pair style mesocnt does not support lj units
Self-explanatory. Specify different unit system using the units Self-explanatory. Specify different unit system using the units
command. command.
E: Pair style mesocnt requires atom IDs E: Pair style mesocnt requires atom IDs
@ -224,7 +224,7 @@ The specified mesocnt potential file is shorter than specified. Check
if the correct file is being used and the right number of data points if the correct file is being used and the right number of data points
was specified in the pair_style was specified in the pair_style
W: %d of %d lines were incomplete or could not be parsed completely W: %d of %d lines were incomplete or could not be parsed completely
in pair table %s in pair table %s
A number of lines in the specified mesocnt potential file is incomplete A number of lines in the specified mesocnt potential file is incomplete
@ -237,7 +237,7 @@ The spacings between x coordinates in the first column of the specified
mesocnt potential file vary throughout the file. Use a potential file mesocnt potential file vary throughout the file. Use a potential file
with higher precision. with higher precision.
W: %d spacings in second column were different from first W: %d spacings in second column were different from first
spacing in pair table %s spacing in pair table %s
The spacings between y coordinates in the second column of the specified The spacings between y coordinates in the second column of the specified