--- trunk/OOPSE-1.0/utils/sysbuilder/simpleBuilderCmd.h 2004/07/28 21:46:27 1431 +++ trunk/OOPSE-1.0/utils/sysbuilder/simpleBuilderCmd.h 2004/07/29 03:31:50 1432 @@ -15,7 +15,7 @@ extern "C" { #endif /* __cplusplus */ #ifndef CMDLINE_PARSER_PACKAGE -#define CMDLINE_PARSER_PACKAGE "sysbuilder" +#define CMDLINE_PARSER_PACKAGE "simpleBuilder" #endif #ifndef CMDLINE_PARSER_VERSION @@ -24,21 +24,16 @@ struct gengetopt_args_info struct gengetopt_args_info { - char ** include_arg; /* File name that should be included at the top of the output bass file.. */ char * output_arg; /* Output file name. */ - char * latticetype_arg; /* Lattice type string. Valid types are fcc,hcp,bcc and hcp-water.. */ + char * latticetype_arg; /* Lattice type string. Valid types are fcc,hcp,bcc and hcp-water. (default='fcc'). */ double density_arg; /* density g/cm^3. */ double ndensity_arg; /* number density. */ int nx_arg; /* number of unit cells in x. */ int ny_arg; /* number of unit cells in y. */ int nz_arg; /* number of unit cells in z. */ - double a1_arg; /* lattice spacing in Angstroms h - for cubic lattice, specify this parameter. */ - double a2_arg; /* lattice spacing in Angstroms k. */ - double a3_arg; /* lattice spacing in Angstroms l. */ int help_given ; /* Whether help was given. */ int version_given ; /* Whether version was given. */ - int include_given ; /* Whether include was given. */ int output_given ; /* Whether output was given. */ int latticetype_given ; /* Whether latticetype was given. */ int density_given ; /* Whether density was given. */ @@ -46,9 +41,6 @@ struct gengetopt_args_info int nx_given ; /* Whether nx was given. */ int ny_given ; /* Whether ny was given. */ int nz_given ; /* Whether nz was given. */ - int a1_given ; /* Whether a1 was given. */ - int a2_given ; /* Whether a2 was given. */ - int a3_given ; /* Whether a3 was given. */ char **inputs ; /* unamed options */ unsigned inputs_num ; /* unamed options number */