msspec_python3/msspec/es/Sym_Analys/cluster_geometry.inc

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513 B
C++

PARAMETER(NATCLU_M=700,NLINE_M=10000,NP_M=50)
PARAMETER(NATP_M=700,NAT_EQ_M=64)
C
C NATCLU_M : MAXIMUM NUMBER OF ATOMS IN THE CLUSTER FILE
C NLINE_M : MAXIMUM NUMBER OF LINES IN THE CLUSTER FILE
C NP_M : MAXIMUM NUMBER OF PREAMBLE LINES IN THE
C phagen_scf. f INPUT FILE (BEFORE THE CLUSTER
C SECTION)
C NATP_M : MAXIMUM NUMBER OF PROTOTYPICAL ATOMS
C NAT_EQ_M : MAXIMUM NUMBER OF EQUIVALENT ATOMS
C