| __text__TEXTl*__data__DATA__cstring__TEXT P __picsymbolstub2__TEXTp(B__la_sym_ptr2__DATA,*  __nl_symbol_ptr__DATAH__textcoal_nt__TEXTd @+,4 P$+UWVSEEEEE EEEE$E-E7EBENE[EiExE؈EܙxB|BEB EBEBfE%t$'$t$4$tt$G$Zt$Z$@t$e$&~񋓟BBB ,D$ D$D$v$D$ D$D$$vD$ D$D$$RD$ D$D$$.D$ D$ D$$ t$t$t$ t$D$$t$t$t$ t$/D$$t$hD$$D$ D$AD$$~{D$D$D$ D$D$$:D$ D$D$($/D$ D$[D$O$D$ D$VD$$D$ D$XD$$D$ D$VD$o<$D$ D$XD$$uD$ D$VD$<$W /tD$ t$tD$$~ӋD$ D$D$N$D$ D$1D$o$D$ D$:D$$D$ D$KD$$dD$ D$D$;p$:D$ D$*D$Ol$D$ D$WD$$D$ D$'D$h$D$ D$WD$/$D$ D$FD$<$zD$ D$D$$VD$ D$%D$$2D$ D$#D$/$D$ D$D$S$D$ D$D$$D$ D$D$$D$ D$%D$$~D$ D$D$$ZD$ D$ D$/$6D$ D$D$P$D$ D$ D$V$D$ D$ED$o$D$ D$D$p$D$ D$*D$l$D$ D$'D$h$^D$ D$FD$<$@D$ D$D$$D$ D$D$d$$9$)$D$ D$D$$D$ D$D$$zD$ D$D$$VD$ D$BD$$2`D$RD$$D$lD$$D$ D$D$$D$ D$D$4$D$ D$D$$D$ D$D$$\D$ D$D$$8D$ D$D$$D$ D$D$$D$ D$D$4$D$ D$D$$D$ D$D$2$D$ D$D$M$fD$ D$"D$o$B҉\փt$ t$D$$t$ t$D$$t$ t$/D$$\D$ D$oD$$D$ D$D$$D$ D$D$$oD$ D$D$4$KD$ D$ D$$'D$ D$D$X$`T$T$T$ T$D$$`D$D$D$ D$/D$$D$ D$D$o$D$ D$ED$$aD$ D$D$$=D$ D$FD$$D$ D$D$4$D$ D$D$d$D$ D$D$V$D$ D$D$X$$ $ $ UE$w $ 0pdfghiklmnoqrtuvwxyzw./output.dat./r12_hrr_header.h./r12_vrr_header.h./libr12.h./init_libr12.cc#include #include #include "libr12.h" #include "r12_hrr_header.h" extern "C" { void (*build_r12_gr[%d][%d][%d][%d])(Libr12_t *, int); void (*build_r12_grt[%d][%d][%d][%d])(Libr12_t *, int); int libr12_stack_size[%d]; /* This function initializes a matrix of pointers to routines */ /* for computing integral classes up to (%c%c|%c%c) */ void init_libr12_base() { extern "C" REALTYPE *r_vrr_build_xxxx(int am[2], prim_data *, REALTYPE *, const REALTYPE *, const REALTYPE *, REALTYPE *, const REALTYPE *, const REALTYPE *, const REALTYPE *); extern "C" REALTYPE *t1_vrr_build_xxxx(int am[2], prim_data *, contr_data *, REALTYPE *, REALTYPE *, const REALTYPE *, const REALTYPE *, const REALTYPE *, const REALTYPE *); extern "C" REALTYPE *t2_vrr_build_xxxx(int am[2], prim_data *, contr_data *, REALTYPE *, libr12_stack_size[%d] = %d; } /* These functions initialize library objects */ /* Library objects operate independently of each other */ int init_libr12(Libr12_t *libr12, int max_am, int max_num_prim_quartets) { int memory = 0; if (max_am >= LIBR12_MAX_AM) return -1; libr12->int_stack = (REALTYPE *) malloc(libr12_stack_size[max_am]*sizeof(REALTYPE)); memory += libr12_stack_size[max_am]; libr12->PrimQuartet = (prim_data *) malloc(max_num_prim_quartets*sizeof(prim_data)); memory += max_num_prim_quartets*sizeof(prim_data)/sizeof(REALTYPE); return memory; } void free_libr12(Libr12_t *libr12) { if (libr12->int_stack != NULL) { free(libr12->int_stack); libr12->int_stack = NULL; } if (libr12->PrimQuartet != NULL) { free(libr12->PrimQuartet); libr12->PrimQuartet = NULL; } return; } int libr12_storage_required(int max_am, int max_num_prim_quartets) { return memory; } } #ifndef _psi3_libr12_h #define _psi3_libr12_h /* Maximum angular momentum of functions in a basis set plus 1 */ #define LIBR12_MAX_AM %d #define LIBR12_OPT_AM %d #define NUM_TE_TYPES 4 typedef struct { REALTYPE AB[3]; REALTYPE CD[3]; REALTYPE AC[3]; REALTYPE ABdotAC, CDdotCA; } contr_data; REALTYPE *int_stack; prim_data *PrimQuartet; contr_data ShellQuartet; REALTYPE *te_ptr[NUM_TE_TYPES]; REALTYPE *t1vrr_classes[%d][%d]; REALTYPE *t2vrr_classes[%d][%d]; REALTYPE *rvrr_classes[%d][%d]; REALTYPE *gvrr_classes[%d][%d]; REALTYPE *r12vrr_stack; } Libr12_t; #ifdef __cplusplus #endif extern void (*build_r12_gr[%d][%d][%d][%d])(Libr12_t *, int); extern void (*build_r12_grt[%d][%d][%d][%d])(Libr12_t *, int); void init_libr12_base(); int init_libr12(Libr12_t *, int max_am, int max_num_prim_quartets); void free_libr12(Libr12_t *); int libr12_storage_required(int max_am, int max_num_prim_quartets); #endif ⍀Pwr⍀P^Y⍀PE@⍀P,'⍀P⍀P⍀P{⍀{Pf⍀fPQ⍀QP<⍀<P}},E^w$Ë$        gv R 4 ,         @z l P B &          q c @U G 9 +     ^  C  +{ ] U 9 1          } a S }A 3 c  {uke[M1) {_Wg;3a@ c[d?7@@}aY=/`L}u_YK,&@  ldH@`$9y@oaC;hSF@8v,&k XE86     oo  VV  ==  $$      ~ y ske ` ZRL G A93 . (   uu ($        { s -%:UF`0%._main___i686.get_pc_thunk.bx_punt_outfile_vrr_header_hrr_header_libr12_header_init_code_libr12_stack_size_Params___i686.get_pc_thunk.axdyld_stub_binding_helper_printf_exit_fclose_emit_vrr_t2_build_emit_vrr_t1_build_emit_vrr_r_build_emit_hrr_t_build_emit_grt_order_fprintf_fwrite_fopen