[0b990d] | 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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