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/* Computes derivatives of (%c%c|%c%c) integrals */ void %s(Libderiv_t *Libderiv, int num_prim_comb) { prim_data *Data = Libderiv->PrimQuartet; double *int_stack = Libderiv->int_stack; double *zero_stack = Libderiv->zero_stack; int i,j; double tmp, *target; void %s(Libderiv_t *, int); build_deriv12_eri[%d][%d][%d][%d] = %s; #define INLINE_VRR_WORKER #define INLINE_DERIV_WORKER #include #include #include "deriv_header.h" /* Computes quartets necessary to compute derivatives of (%c%c|%c%c) integrals */ inline void %s(Libderiv_t *Libderiv, prim_data *Data) { Libderiv->dvrr_classes[%d][%d] = int_stack + %d; Libderiv->deriv_classes[%d][%d][%d] = int_stack + %d; Libderiv->deriv2_classes[%d][%d][%d] = int_stack + %d; deriv_lvl = 3 memset(int_stack,0,%d); Libderiv->dvrr_stack = int_stack + %d; for(i=0;iCD,int_stack+%d,#include "d1hrr3_build_%c%c.h" hrr3_build_%c%c(Libderiv->CD,int_stack+%d,#include d1hrr1_build_%c%c(Libderiv->AB,int_stack+%d,#include "d1hrr1_build_%c%c.h" hrr1_build_%c%c(Libderiv->AB,int_stack+%d,#include int_stack+%d, %.1lf, int_stack+%d, 0.0, zero_stack,%d); Libderiv->ABCD[%d] = int_stack + %d; } Done with %s Edward, you fucked up Number of VRR targets has exceeded the hardwired maximum MAX_NUM_TARGET_VRR_NODES double *dvrr_stack = Libderiv->dvrr_stack; double *tmp, *target_ptr; int i, am[2]; /* compute (%d %d | %d %d) m=%d deriv level %d */ /* deriv_ind: %d %d %d %d %d %d %d %d %d %d %d %d */ deriv_build_There's a non-target second derivative class A%c_%c(Data,%d,#include "deriv_build_A%c_%c.h" B%c_%c(Data,%d,%d,#include "deriv_build_B%c_%c.h" C%c_%c(Data,%d,%d,#include "deriv_build_C%c_%c.h" D%c_%c(Data,%d,#include "deriv_build_D%c_%c.h" dvrr_stack+%d, dvrr_stack+%d, NULL, Data->F+%d hrr3_build_%c%c(Libderiv->CD,dvrr_stack+%d,dvrr_stack+%d,dvrr_stack+%d,%d); Data->F,%d); hrr1_build_%c%c(Libderiv->AB,dvrr_stack+%d,dvrr_stack+%d,Data->F,%d); _BUILD_%c0%c0(Data,#include am[0] = %d; am[1] = %d; vrr_build_xxxx(am,Data,); tmp = dvrr_stack + %d; target_ptr = Libderiv->dvrr_classes[%d][%d]; target_ptr = Libderiv->deriv_classes[%d][%d][%d]; target_ptr = Libderiv->deriv2_classes[%d][%d][%d]; for(i=0;i<%d;i++) target_ptr[i] += tmp[i]; } Maximum stack size is reached. 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