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サンプルプログラムソースコード
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <GLUT/glut.h>
ライブラリ
#define NN 10000
// size of array
#define PI 3.14159265
#define echarge
#define ep0
#define emass
// charge of an elementary electron
// Electric permittivity of free space
// mass of a free electron
物理定数
注意）行末にセミコロン（;）は必要ない
/*Declaration of variables related to electron dynamics */
int PARTICLE_NUM;
double dt,time;
int step,total_step;
double side_x,side_y,side_z,sideh_x,sideh_y,sideh_z,Efield;
double epsilon;
static double cd[NN];
static double cd_draw[NN];
static double vl[NN];
static double fc[NN];
static double mass[NN];
static double kinenergy[NN];
配列指定
/***** Declaration of variables related to OpenGL *****/
int stop_flg = 1;
double eye_len=220;
double trans[3] = {0.0, 0.0, 0.0};
double angle[3] = {0.0, 0.0, 0.0};
int mouse_l = 0;
int mouse_m = 0;
int mouse_r = 0;
int mpos[2];
double m_matrix[16];
double i_matrix[16];
/********************************/
/** Declaration of the variables to open the file **/
FILE *fp_output;
/*Initialization of electron dynamics）*/
void init_dynamics(void)
{
int i,j,k;
int ix,iy,iz;
double vl2_sum;
電子のダイナミクスに関する初期条件の設定
/* Device size (in units of nano mater)*/
side_x=
;
side_y=
;
side_z=
;
導体のサイズの指定（nm 単位）
/*Half of the device size ( Don't change this part.)*/
sideh_x=side_x*0.5;
sideh_y=side_y*0.5;
sideh_z=side_z*0.5;
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/*Number of electrons*/
PARTICLE_NUM=
;
PARTICLE_NUM=計算に使う粒子数
/*time step */
dt=
;
dt=時間の刻み幅
/*time initialization*/
step = 1;
step=計算回数．すなわち時刻 time=step*dt
/*total number of simulation steps*/
total_step =
;
/*electric field in units of [V/m]*/
Efield=
;
Efield=-Efield;
Efield は導体にかける電界
/*file open command */
fp_output=fopen("output.dat","w");
データ保存用に output.dat という名前のフ
ァイルを開く（作成する）
/*mass of electrons */
for(i = 0; i < PARTICLE_NUM; i++)
{
mass[i]=
;
}
164 行目を参照のこと
材料の有効質量はここで指定する
/*dielectric constant*/
epsilon=
;
材料の誘電率はここで指定する
/*initial positions of electrons in units of [m] */
for (i=0;i<PARTICLE_NUM;i++)
{
cd[i*3]
= ((double)rand()/RAND_MAX-.0)*side_x*1.0e-9; → x
cd[i*3+1] = ((double)rand()/RAND_MAX-.0)*side_y*1.0e-9; → y （初期配置座標）
→z
cd[i*3+2] = ((double)rand()/RAND_MAX-.0)*side_z*1.0e-9;
}
0∼1 の乱数を発生させる組み込み関数（このまま使う）
/*initial velocities of electrons in units of [m/s] */
for(i = 0; i < PARTICLE_NUM; i++)
{
→ vx
vl[i*3] =
;
→ vy （初期速度）
vl[i*3+1]=
;
vl[i*3+2]=
;
→ vz
}
初期条件の設定に関するサブルーチンはここまで
}
/*electron dynamics */
void run_dynamics(void)
{
int i,j;
double dis,ld,md,nd,sumvz;
実際に運動方程式を解く部分
（run_dynamics を total_step=10000 回繰り返す）
time+=dt;
/* update of forces acting on electrons*/
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double dist;
for(i = 0; i < PARTICLE_NUM; i++)
{
fc[i*3]=0.0;
fc[i*3+1]=0.0;
fc[i*3+2]=0.0;
for(j = 0; j < PARTICLE_NUM; j++)
{
if(j != i)
{
dist=sqrt(
(cd[i*3]-cd[j*3])*(cd[i*3]-cd[j*3])
(cd[i*3+2]-cd[j*3+2])*(cd[i*3+2]-cd[j*3+2]) );
fc[i*3]+= 0.0 ;
fc[i*3+1]+= 0.0 ;
fc[i*3+2]+= 0.0 ;
}
}
}
電子間クーロン反発力の計算
+
/*update of positions */
for(i = 0; i < PARTICLE_NUM; i++)
{
cd[i*3] =
;
cd[i*3+1] = ;
cd[i*3+2] = ;
}
→ fx
→ fy
→ fz
(cd[i*3+1]-cd[j*3+1])*(cd[i*3+1]-cd[j*3+1])
+
式(10)
/*update of velocities*/
for(i = 0; i < PARTICLE_NUM; i++)
{
vl[i*3]=
;
vl[i*3+1]=
;
vl[i*3+2]=
;
}
式(9)
/*average velocity in z-direction*/
sumvz=0;
for(i = 0; i < PARTICLE_NUM; i++)
{
sumvz+=vl[i*3+2];
}
sumvz=sumvz/PARTICLE_NUM;
全電子（100 個）の z 方向の平均速度(sumvz)
を計算する
時刻と全粒子の平均速度を出力させる
・fprintf はファイルに保存
・printf は画面に表示
/*file output*/
fprintf(fp_output," %e %e ¥n",time,sumvz);
/*printf("average velocity= %e (m/s) ¥n",sumvz);*/
%e: 実数型で出力、%d: 整数型で出力
¥n は改行を与える
/* reflections at x,y boundaries and periodic b.c. at z boundaries */
/* for(i = 0; i < PARTICLE_NUM; i++)
{
if (cd[i*3+2]>side_z*1.0e-9)
{
cd[i*3+2]= ;
3
境界条件を与える部分
周期的境界条件（z 方向）
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}
if (cd[i*3+2]<0)
{
cd[i*3+2]= ;
}
if (cd[i*3]>side_x*1.0e-9)
{
vl[i*3]= ;
cd[i*3]= ;
}
if (cd[i*3]<0)
{
vl[i*3]= ;
cd[i*3]= ;
}
if (cd[i*3+1]>side_y*1.0e-9)
{
vl[i*3+1]= ;
cd[i*3+1]= ;
}
if (cd[i*3+1]<0)
{
vl[i*3+1]= ;
cd[i*3+1]= ;
}
}*/
周期的境界条件（z 方向）
鏡面反射条件（x, y 方向）
/* time increment*/
step++;
if(step == total_step)
{
fclose(fp_output);
exit(1);
}
glutPostRedisplay();
// file close.
// exit the dynamics time roop
electron dynamics に関するサブルーチンはここまで
// OpenGL command
}
/*ここから以下はグラフィックスに関する部分*/
void draw_box(void)
{
glDisable(GL_LIGHTING);
glColor3f(1.0,1.0,1.0);
glBegin(GL_LINE_LOOP);
glVertex3f(
0,
0,0);
glVertex3f(side_x,
0,0);
glVertex3f(side_x,side_y,0);
glVertex3f(0,
side_y,0);
glEnd();
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glBegin(GL_LINE_LOOP);
glVertex3f(
0,
0,side_z);
glVertex3f(side_x,
0,side_z);
glVertex3f(side_x,side_y,side_z);
glVertex3f(0,
side_y,side_z);
glEnd();
glBegin(GL_LINES);
glVertex3f(
0,
0, 0);
glVertex3f(
0,
0,side_z);
glVertex3f(side_x,
0, 0);
glVertex3f(side_x,
0,side_z);
glVertex3f(
0,side_y,
0);
glVertex3f(
0,side_y,side_z);
glVertex3f(side_x,side_y,
0);
glVertex3f(side_x,side_y,side_z);
glEnd();
glEnable(GL_LIGHTING);
}
void draw_dynamics(void)
{
int i;
粒子の動きを描画する部分
double color_level;
GLfloat color[4];
glTranslated(-sideh_x,-sideh_y,-sideh_z);
draw_box();
for(i = 0; i < PARTICLE_NUM; i ++){
cd_draw[i*3]=cd[i*3]*1.0e9;
cd_draw[i*3+1]=cd[i*3+1]*1.0e9;
cd_draw[i*3+2]=cd[i*3+2]*1.0e9;
glPushMatrix();
glTranslated(cd_draw[i*3],cd_draw[i*3+1],cd_draw[i*3+2]);
→ Red
color[0]=0;
→ Green
color[1]=1;
→ Blue
color[2]=0;
color[3]=1.0;
glMaterialfv(GL_FRONT, GL_AMBIENT_AND_DIFFUSE,color);
glutSolidSphere(0.2, 20, 10);
glPopMatrix();
}
0.2:粒子の大きさを設定
}
void mat_inv(double a[4][4])
{
int i,j,k;
double t, u, det;
5
粒子を緑色に光らせる部分
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int n = 3;
det = 1;
for(k = 0; k < n; k++){
t = a[k][k]; det *= t;
for(i = 0; i < n; i++) a[k][i] /= t;
a[k][k] = 1 / t;
for(j = 0; j < n; j++)
if(j != k){
u = a[j][k];
for(i = 0; i < n; i++)
if(i != k) a[j][i] -= a[k][i] * u;
else
a[j][i] = -u/t;
}
}
}
void init_gl(void)
{
GLfloat light_position[] = {1.0, 1.1, 1.2, 0.0};
glShadeModel(GL_SMOOTH);
glLightfv(GL_LIGHT0, GL_POSITION, light_position);
glMatrixMode(GL_MODELVIEW);
glGetDoublev(GL_MODELVIEW_MATRIX,m_matrix);
glGetDoublev(GL_MODELVIEW_MATRIX,i_matrix);
}
void display(void)
{
int i,j;
double d0,d1,d2,d3,d4,d5;
GLfloat color[4];
glClearColor(0.0, 0.0, 0.0, 1.0);
glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT);
glEnable(GL_DEPTH_TEST);
glEnable(GL_CULL_FACE);
glEnable(GL_LIGHTING);
glEnable(GL_LIGHT0);
glCullFace(GL_BACK);
glLoadIdentity();
glPushMatrix();
gluLookAt(eye_len, 0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0);
glTranslated(trans[0], trans[1], trans[2]);
glPushMatrix();
glLoadIdentity();
glRotatef( angle[0],1.0,0.0,0.0);
glRotatef( angle[1],0.0,1.0,0.0);
glRotatef( angle[2],0.0,0.0,1.0);
glMultMatrixd(m_matrix);
glGetDoublev(GL_MODELVIEW_MATRIX, m_matrix);
glPopMatrix();
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for(i = 0; i < 16; i++)
i_matrix[i] = m_matrix[i];
mat_inv((double(*)[4])i_matrix);
glMultMatrixd(m_matrix);
if(mouse_l == 1 || mouse_m == 1 || mouse_r == 1){
angle[0] = 0;
angle[1] = 0;
angle[2] = 0;
}
draw_dynamics();
glPopMatrix();
glDisable(GL_DEPTH_TEST);
glDisable(GL_LIGHT0);
glDisable(GL_LIGHTING);
glDisable(GL_CULL_FACE);
glutSwapBuffers();
}
void reshape(int w, int h)
{
int i;
glViewport(0, 0, (GLsizei)w, (GLsizei)h);
glMatrixMode(GL_PROJECTION);
glLoadIdentity();
gluPerspective(30.0, (double)w / (double)h, 1.0, 800.0);
glMatrixMode(GL_MODELVIEW);
}
void mouse(int button, int state, int x, int y)
{
switch (button) {
case GLUT_LEFT_BUTTON:
if (state == GLUT_DOWN) {
mpos[0] = x;
mpos[1] = y;
mouse_l = 1;
}
if (state == GLUT_UP) {
mouse_l = 0;
}
break;
case GLUT_MIDDLE_BUTTON:
if (state == GLUT_DOWN) {
mpos[0] = x;
mpos[1] = y;
mouse_m = 1;
}
if (state == GLUT_UP) {
mouse_m = 0;
}
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break;
case GLUT_RIGHT_BUTTON:
if (state == GLUT_DOWN) {
mpos[0] = x;
mpos[1] = y;
mouse_r = 1;
}
if (state == GLUT_UP) {
mouse_r = 0;
}
break;
default:
break;
}
}
void motion(int x, int y)
{
double d0;
double len = 10;
len = eye_len;
if(mouse_l == 1 && mouse_m == 1){
trans[0] += (double)(y-mpos[1])*len/150;
angle[0] = -(double)(x-mpos[0])*0.2;
} else if(mouse_m == 1 || (mouse_l == 1 && mouse_r == 1)){
trans[1] += (double)(x-mpos[0])*len*.001;
trans[2] -= (double)(y-mpos[1])*len*.001;
} else if(mouse_r == 1){
trans[0] -= (double)(y-mpos[1])*len/150;
angle[0] = (double)(x-mpos[0])*0.2;
} else if(mouse_l == 1){
d0 = len/50;
if(d0 > 1.0) d0 = 1.0;
angle[1] = (double)(y-mpos[1])*d0;
angle[2] = (double)(x-mpos[0])*d0;
}
if(mouse_l == 1 || mouse_m == 1 || mouse_r == 1){
mpos[0] = x;
mpos[1] = y;
glutPostRedisplay();
}
}
void keyboard(unsigned char key, int x, int y)
{
if( key == 'q' || key == 'Q') exit(0);
if(key == 's')
{
if(stop_flg == 1)
{
stop_flg = 0;
glutIdleFunc(run_dynamics);
}
else if(stop_flg == 0)
{
stop_flg = 1;
glutIdleFunc(NULL);
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}
}
}
int main(int argc, char** argv)
{
init_dynamics();
glutInit(&argc, argv);
glutInitDisplayMode(GLUT_DOUBLE | GLUT_RGBA | GLUT_DEPTH);
glutInitWindowSize (1000, 1000);
glutInitWindowPosition (400, 100);
glutCreateWindow (argv[0]);
init_gl();
glutDisplayFunc(display);
glutReshapeFunc(reshape);
glutMouseFunc(mouse);
glutMotionFunc(motion);
glutKeyboardFunc(keyboard);
glutMainLoop();
return 0;
}
9
メイン文