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add clang-format support to plugin examples

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This commit is contained in:
Axel Kohlmeyer
2021-05-05 23:51:12 -04:00
parent 5fcd0d8b79
commit 49a7bb57de
21 changed files with 376 additions and 326 deletions
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40
examples/plugins/angle_zero2.cpp
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@ -19,9 +19,9 @@
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include <cstring>
@ -46,7 +46,7 @@ AngleZero2::~AngleZero2()
void AngleZero2::compute(int eflag, int vflag)
{
ev_init(eflag,vflag);
ev_init(eflag, vflag);
}
/* ---------------------------------------------------------------------- */
@ -54,11 +54,13 @@ void AngleZero2::compute(int eflag, int vflag)
void AngleZero2::settings(int narg, char **arg)
{
if ((narg != 0) && (narg != 1))
error->all(FLERR,"Illegal angle_style command");
error->all(FLERR, "Illegal angle_style command");
if (narg == 1) {
if (strcmp("nocoeff",arg[0]) == 0) coeffflag=0;
else error->all(FLERR,"Illegal angle_style command");
if (strcmp("nocoeff", arg[0]) == 0)
coeffflag = 0;
else
error->all(FLERR, "Illegal angle_style command");
}
}
@ -69,8 +71,8 @@ void AngleZero2::allocate()
allocated = 1;
int n = atom->nangletypes;
memory->create(theta0,n+1,"angle:theta0");
memory->create(setflag,n+1,"angle:setflag");
memory->create(theta0, n + 1, "angle:theta0");
memory->create(setflag, n + 1, "angle:setflag");
for (int i = 1; i <= n; i++) setflag[i] = 0;
}
@ -81,27 +83,27 @@ void AngleZero2::allocate()
void AngleZero2::coeff(int narg, char **arg)
{
if ((narg < 1) || (coeffflag && narg > 2))
error->all(FLERR,"Incorrect args for angle coefficients");
error->all(FLERR, "Incorrect args for angle coefficients");
if (!allocated) allocate();
int ilo,ihi;
utils::bounds(FLERR,arg[0],1,atom->nangletypes,ilo,ihi,error);
int ilo, ihi;
utils::bounds(FLERR, arg[0], 1, atom->nangletypes, ilo, ihi, error);
double theta0_one = 0.0;
if (coeffflag && (narg == 2))
theta0_one = utils::numeric(FLERR,arg[1],false,lmp);
theta0_one = utils::numeric(FLERR, arg[1], false, lmp);
// convert theta0 from degrees to radians
int count = 0;
for (int i = ilo; i <= ihi; i++) {
setflag[i] = 1;
theta0[i] = theta0_one/180.0 * MY_PI;
theta0[i] = theta0_one / 180.0 * MY_PI;
count++;
}
if (count == 0) error->all(FLERR,"Incorrect args for angle coefficients");
if (count == 0) error->all(FLERR, "Incorrect args for angle coefficients");
}
/* ---------------------------------------------------------------------- */
@ -115,8 +117,9 @@ double AngleZero2::equilibrium_angle(int i)
proc 0 writes out coeffs to restart file
------------------------------------------------------------------------- */
void AngleZero2::write_restart(FILE *fp) {
fwrite(&theta0[1],sizeof(double),atom->nangletypes,fp);
void AngleZero2::write_restart(FILE *fp)
{
fwrite(&theta0[1], sizeof(double), atom->nangletypes, fp);
}
/* ----------------------------------------------------------------------
@ -128,9 +131,10 @@ void AngleZero2::read_restart(FILE *fp)
allocate();
if (comm->me == 0) {
utils::sfread(FLERR,&theta0[1],sizeof(double),atom->nangletypes,fp,nullptr,error);
utils::sfread(FLERR, &theta0[1], sizeof(double), atom->nangletypes, fp,
nullptr, error);
}
MPI_Bcast(&theta0[1],atom->nangletypes,MPI_DOUBLE,0,world);
MPI_Bcast(&theta0[1], atom->nangletypes, MPI_DOUBLE, 0, world);
for (int i = 1; i <= atom->nangletypes; i++) setflag[i] = 1;
}
@ -141,7 +145,7 @@ void AngleZero2::read_restart(FILE *fp)
void AngleZero2::write_data(FILE *fp)
{
for (int i = 1; i <= atom->nangletypes; i++)
fprintf(fp,"%d %g\n",i,theta0[i]/MY_PI*180.0);
fprintf(fp, "%d %g\n", i, theta0[i] / MY_PI * 180.0);
}
/* ---------------------------------------------------------------------- */