first commit, Readme.html更新して、git管理することにした。

malloc_atoms.c

@@ -0,0 +1,53 @@
+#include "dump2analysis.h"
+
+void Deallocate(ATOMS *a, int n){
+  int i;
+  
+  for (i=0; i<n; i++) free(a->elem[i]);
+  /* free(a->elem); */
+  free(a->id);
+  free(a->type);
+  free(a->x);
+  free(a->y);
+  free(a->z);
+  free(a->vx);
+  free(a->vy);
+  free(a->vz);
+  free(a->fx);
+  free(a->fy);
+  free(a->fz);
+}
+
+void Allocate(ATOMS *a, int n){
+  int i;
+  
+  a->atoms = n;
+  a->elem = malloc(sizeof(char*) * n);
+  for (i=0; i<n; i++) a->elem[i] = malloc(sizeof(char) * 8);
+  a->id = malloc(sizeof(int) * n);
+  a->type = malloc(sizeof(int) * n);
+  a->x = malloc(sizeof(double) * n);
+  a->y = malloc(sizeof(double) * n);
+  a->z = malloc(sizeof(double) * n);
+  a->vx = malloc(sizeof(double) * n);
+  a->vy = malloc(sizeof(double) * n);
+  a->vz = malloc(sizeof(double) * n);
+  a->fx = malloc(sizeof(double) * n);
+  a->fy = malloc(sizeof(double) * n);
+  a->fz = malloc(sizeof(double) * n);
+  for (i=0; i<n; i++){
+    a->id[i] = 0;
+    a->type[i] = 0;
+    a->x[i] = 0.0;
+    a->y[i] = 0.0;
+    a->z[i] = 0.0;
+    a->vx[i] = 0.0;
+    a->vy[i] = 0.0;
+    a->vz[i] = 0.0;
+    a->fx[i] = 0.0;
+    a->fy[i] = 0.0;
+    a->fz[i] = 0.0;
+    strcpy(a->elem[i], "");
+  }
+
+}