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gezelter |
1295 |
/* shaperCmd.h */ |
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/* File autogenerated by gengetopt version 2.12.1 */ |
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#ifndef SHAPERCMD_H |
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#define SHAPERCMD_H |
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/* If we use autoconf. */ |
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#ifdef HAVE_CONFIG_H |
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#include "config.h" |
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#endif |
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#ifdef __cplusplus |
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extern "C" { |
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#endif /* __cplusplus */ |
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#ifndef CMDLINE_PARSER_PACKAGE |
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#define CMDLINE_PARSER_PACKAGE "shaper" |
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#endif |
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#ifndef CMDLINE_PARSER_VERSION |
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#define CMDLINE_PARSER_VERSION "0.99" |
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#endif |
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struct gengetopt_args_info |
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{ |
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char * input_arg; /* input file name. */ |
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int bandwidth_arg; /* The step detail for the potential grids - typically a power of 2 (default='8'). */ |
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chrisfen |
1312 |
double tolerance_arg; /* The tolerance for recognition of spherical harmonic terms (default='0.01'). */ |
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gezelter |
1295 |
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int help_given ; /* Whether help was given. */ |
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int version_given ; /* Whether version was given. */ |
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int input_given ; /* Whether input was given. */ |
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int bandwidth_given ; /* Whether bandwidth was given. */ |
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chrisfen |
1312 |
int tolerance_given ; /* Whether tolerance was given. */ |
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gezelter |
1295 |
int charmm_given ; /* Whether charmm was given. */ |
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int amber_given ; /* Whether amber was given. */ |
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int lj_given ; /* Whether lj was given. */ |
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int gaff_given ; /* Whether gaff was given. */ |
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int opls_given ; /* Whether opls was given. */ |
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int ForceField_group_counter; /* counter for group ForceField */ |
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} ; |
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int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
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int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
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void cmdline_parser_print_help(void); |
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void cmdline_parser_print_version(void); |
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void cmdline_parser_init (struct gengetopt_args_info *args_info); |
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void cmdline_parser_free (struct gengetopt_args_info *args_info); |
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#ifdef __cplusplus |
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} |
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#endif /* __cplusplus */ |
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#endif /* SHAPERCMD_H */ |
