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

2023-05-26 20:13:05 +09:00
commit ce85e3907f
26 changed files with 158505 additions and 0 deletions
@@ -0,0 +1,22 @@
+#include "dump2analysis.h"
+
+int Eleme2AtomicNumber(char *elem){
+  int atomic_num = 0;
+  
+  if (strcmp(elem, "H")==0) atomic_num = 1;
+  if (strcmp(elem, "Li")==0) atomic_num = 3;
+  if (strcmp(elem, "B")==0) atomic_num = 5;
+  if (strcmp(elem, "C")==0) atomic_num = 6;
+  if (strcmp(elem, "N")==0) atomic_num = 7;
+  if (strcmp(elem, "O")==0) atomic_num = 8;
+  if (strcmp(elem, "Na")==0) atomic_num = 11;
+  if (strcmp(elem, "Mg")==0) atomic_num = 12;
+  if (strcmp(elem, "Al")==0) atomic_num = 13;
+  if (strcmp(elem, "Si")==0) atomic_num = 14;
+  if (strcmp(elem, "P")==0) atomic_num = 15;
+  if (strcmp(elem, "S")==0) atomic_num = 16;
+  if (strcmp(elem, "Cl")==0) atomic_num = 17;
+  if (strcmp(elem, "Ca")==0) atomic_num = 20;
+  if (strcmp(elem, "Ho")==0) atomic_num = 67;
+  return atomic_num;
+}