Searched defs:SaveStructFile (Results 1 – 1 of 1) sorted by relevance
| /dports/science/xcrysden/xcrysden-1.6.2/F/ |
| H A D | savestruct.f | 82 INTEGER NAT(NAC), INN(NAC)
83 INTEGER MAXNAT ! maximum atomic number in structure
84 INTEGER NPT, ISPLIT ! used for Wien97
85 REAL*8 X(NAC),Y(NAC),Z(NAC),DVEC(3,3),IDVEC(3,3),TMPVEC(3,3)
86 REAL*8 A(NAC),B(NAC),C(NAC), MIN_NNDIST(NAC), RMT(NAC), R0(NAC)
87 REAL*8 SYMMOP(1,3,3), SYMMTR(1,3)
88 REAL*8 V1(3), V2(3), V3(3)
89 CHARACTER*10 ATOM(100), ATOM_UPPER(100)
90 CHARACTER*4 gtype
91 REAL*8 FRMT(NAC)
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