1 | %option c++ prefix="MPQCIn" yylineno
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2 |
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3 | %{
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4 |
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5 | #if !defined(SUN4)
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6 | #include <string.h>
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7 | #endif
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8 |
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9 | #include <util/misc/exenv.h>
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10 |
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11 | #include "mpqcin.h"
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12 | #include "parse.h"
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13 |
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14 | using namespace sc;
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15 |
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16 | #define YY_NO_UNISTD_H
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17 | extern "C" int MPQCInwrap();
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18 |
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19 | #ifndef yywrap
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20 | # define yywrap MPQCInwrap
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21 | #endif
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22 |
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23 | static inline char *
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24 | cstr(char *yytext)
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25 | {
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26 | if (MPQCIn::checking()) return 0;
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27 | char *ret;
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28 | int strlenyytext = strlen(yytext);
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29 | ret = (char *)malloc(strlenyytext+1);
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30 | if (!ret) {
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31 | ExEnv::outn() << "MPQC: malloc failed"
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32 | << endl;
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33 | abort();
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34 | }
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35 | strcpy(ret,yytext);
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36 | return ret;
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37 | }
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38 |
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39 | %}
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40 | string [A-Za-z0-9_\.*+-/']*
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41 | qstring \"[^"\n]+\"
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42 | %%
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43 | "!" { return T_NOT; }
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44 | "ebc" { return T_EBC; }
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45 | "gbc" { return T_GBC; }
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46 | "cabs" { return T_CABS; }
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47 | "cabs+" { return T_CABSP; }
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48 | "abs" { return T_ABS; }
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49 | "abs+" { return T_ABSP; }
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50 | "memory" { return T_MEMORY; }
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51 | "molecule" { return T_MOLECULE; }
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52 | "multiplicity" { return T_MULTIPLICITY; }
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53 | "optimize" { return T_OPTIMIZE; }
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54 | "gradient" { return T_GRADIENT; }
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55 | "frequencies" { return T_FREQUENCIES; }
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56 | "yes" { yylval.i = 1; return T_BOOL; }
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57 | "no" { yylval.i = 0; return T_BOOL; }
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58 | "charge" { return T_CHARGE; }
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59 | "method" { return T_METHOD; }
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60 | "basis" { return T_BASIS; }
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61 | "auxbasis" { return T_AUXBASIS; }
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62 | "cartesian" { return T_CARTESIAN; }
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63 | "internal" { return T_INTERNAL; }
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64 | "redundant" { return T_REDUNDANT; }
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65 | "restart" { return T_RESTART; }
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66 | "checkpoint" { return T_CHECKPOINT; }
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67 | "xc" { return T_XC; }
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68 | "symmetry" { return T_SYMMETRY; }
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69 | "bohr" { return T_BOHR; }
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70 | "angstrom" { return T_ANGSTROM; }
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71 | "docc" { return T_DOCC; }
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72 | "socc" { return T_SOCC; }
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73 | "alpha" { return T_ALPHA; }
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74 | "beta" { return T_BETA; }
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75 | "frozen_docc" { return T_FROZEN_DOCC; }
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76 | "frozen_uocc" { return T_FROZEN_UOCC; }
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77 | "grid" { return T_GRID; }
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78 | "=" { return T_EQUALS; }
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79 | ":" { return T_COLON; }
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80 | "(" { return T_BEG_OPT; }
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81 | ")" { return T_END_OPT; }
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82 | "<" { return T_OO_INPUT_KEYWORD; }
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83 | "mpqc" { return T_OO_INPUT_KEYWORD; }
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84 | {string} { yylval.str = cstr(yytext);
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85 | return T_STRING;
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86 | }
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87 | {qstring} { if (MPQCIn::checking()) return T_STRING;
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88 | yylval.str = (char *)malloc(strlen(yytext));
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89 | if (!yylval.str) {
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90 | ExEnv::outn() << "MPQC: {qstring} rule: malloc failed"
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91 | << endl;
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92 | abort();
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93 | }
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94 | strcpy(yylval.str,&yytext[1]);
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95 | yylval.str[strlen(yylval.str)-1] = '\0';
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96 | return(T_STRING);
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97 | }
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98 | [ \t]+ ;
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99 | %.*$ ;
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100 | [\n\r\f] ;
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101 | . { ExEnv::outn() << "MPQC: Illegal character: \""
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102 | << yytext[0] <<"\"" << endl; }
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103 | %%
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104 |
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105 | int
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106 | MPQCInwrap()
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107 | {
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108 | return 1;
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109 | }
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