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atomweights.h
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atomweights.h
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/* ------- file: -------------------------- atomweights.h -----------
Version: rh2.0
Author: Han Uitenbroek ([email protected])
Last modified: Wed Sep 15 16:28:02 1999 --
-------------------------- ----------RH-- */
#ifndef __ATOMWEIGHTS_H__
#define __ATOMWEIGHTS_H__
struct AtomWeight {
char ID[ATOM_ID_WIDTH+1];
double weight;
};
/* --- Atomic IDs and weights for the first 99 elements of the
periodic table -- -------------- */
static struct AtomWeight atomweight[] = {
{"H ", 1.008}, {"HE", 4.003}, {"LI", 6.939}, {"BE", 9.013},
{"B ", 10.810}, {"C ", 12.010}, {"N ", 14.010}, {"O ", 16.000},
{"F ", 19.000}, {"NE", 20.180}, {"NA", 22.990}, {"MG", 24.310},
{"AL", 26.980}, {"SI", 28.090}, {"P ", 30.980}, {"S ", 32.070},
{"CL", 35.450}, {"AR", 39.950}, {"K ", 39.100}, {"CA", 40.080},
{"SC", 44.960}, {"TI", 47.900}, {"V ", 50.940}, {"CR", 52.000},
{"MN", 54.940}, {"FE", 55.850}, {"CO", 58.940}, {"NI", 58.710},
{"CU", 63.550}, {"ZN", 65.370}, {"GA", 69.720}, {"GE", 72.600},
{"AS", 74.920}, {"SE", 78.960}, {"BR", 79.910}, {"KR", 83.800},
{"RB", 85.480}, {"SR", 87.630}, {"Y ", 88.910}, {"ZR", 91.220},
{"NB", 92.910}, {"MO", 95.950}, {"TC", 99.000}, {"RU", 101.100},
{"RH", 102.900}, {"PD", 106.400}, {"AG", 107.900}, {"CD", 112.400},
{"IN", 114.800}, {"SN", 118.700}, {"SB", 121.800}, {"TE", 127.600},
{"I ", 126.900}, {"XE", 131.300}, {"CS", 132.900}, {"BA", 137.400},
{"LA", 138.900}, {"CE", 140.100}, {"PR", 140.900}, {"ND", 144.300},
{"PM", 147.000}, {"SM", 150.400}, {"EU", 152.000}, {"GD", 157.300},
{"TB", 158.900}, {"DY", 162.500}, {"HO", 164.900}, {"ER", 167.300},
{"TM", 168.900}, {"YB", 173.000}, {"LU", 175.000}, {"HF", 178.500},
{"TA", 181.000}, {"W ", 183.900}, {"RE", 186.300}, {"OS", 190.200},
{"IR", 192.200}, {"PT", 195.100}, {"AU", 197.000}, {"HG", 200.600},
{"TL", 204.400}, {"PB", 207.200}, {"BI", 209.000}, {"PO", 210.000},
{"AT", 211.000}, {"RN", 222.000}, {"FR", 223.000}, {"RA", 226.100},
{"AC", 227.100}, {"TH", 232.000}, {"PA", 231.000}, {"U ", 238.000},
{"NP", 237.000}, {"PU", 244.000}, {"AM", 243.000}, {"CM", 247.000},
{"BK", 247.000}, {"CF", 251.000}, {"ES", 254.000}
};
/* --- Associated function prototypes -- -------------- */
#endif /* !__ATOMWEIGHTS_H__ */
/* ------- end ---------------------------- ------------- */