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root/group/trunk/nano_mpi/src/headers/atom.h
Revision: 4
Committed: Mon Jun 10 17:18:36 2002 UTC (22 years ago) by chuckv
Content type: text/plain
File size: 743 byte(s)
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File Contents

# Content
1 INTEGER H_atom, He_atom, C_atom, N_atom, O_atom, F_atom
2 INTEGER Ne_atom, S_atom, Cl_atom, Ar_atom, Br_atom, Kr_atom
3 INTEGER HV_atom, LT_atom, DZ_atom
4 integer Ni_atom, Cu_atom, Rh_atom, Pd_atom, Ag_atom, Ir_atom
5 integer Pt_atom, Au_atom, Pb_atom, Al_atom
6
7 PARAMETER (H_atom = 1, He_atom = 2, C_atom = 6, N_atom = 7)
8 PARAMETER (O_atom = 8, F_atom = 9, Ne_atom = 10, S_atom = 16)
9 PARAMETER (Cl_atom = 17, Ar_atom = 18, Br_atom = 35, Kr_atom = 36)
10 parameter (Ni_atom = 28, Cu_atom = 29, Rh_atom = 45, Pd_atom = 46)
11 parameter (Ag_atom = 47, Ir_atom = 77, Pt_atom = 78, Au_atom = 79)
12 parameter (Pb_atom = 82, Al_atom = 13)
13 PARAMETER (HV_atom = 200, LT_atom = 201, DZ_atom=202)