3
#include <libciomr/libciomr.h>
7
void cache_abcd_rhf(int **cachelist);
8
void cache_iabc_rhf(int **cachelist);
9
void cache_ijab_rhf(int **cachelist);
10
void cache_iajb_rhf(int **cachelist);
11
void cache_ijka_rhf(int **cachelist);
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void cache_ijkl_rhf(int **cachelist);
14
void cache_abcd_uhf(int **cachelist);
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void cache_iabc_uhf(int **cachelist);
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void cache_ijab_uhf(int **cachelist);
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void cache_iajb_uhf(int **cachelist);
18
void cache_ijka_uhf(int **cachelist);
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void cache_ijkl_uhf(int **cachelist);
21
int **cacheprep_uhf(int level, int *cachefiles)
25
/* The listing of CC files whose entries may be cached */
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cachefiles[CC_AINTS] = 1;
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cachefiles[CC_CINTS] = 1;
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cachefiles[CC_DINTS] = 1;
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cachefiles[CC_EINTS] = 1;
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cachefiles[CC_DENOM] = 1;
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cachefiles[CC_TAMPS] = 1;
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cachefiles[CC_LAMPS] = 1;
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cachefiles[CC_HBAR] = 1;
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/* The listing of DPD patterns which may be cached */
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cachelist = init_int_matrix(32,32);
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if(level == 0) return cachelist;
41
/*** Cache oooo and ooov ***/
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cache_ijkl_uhf(cachelist);
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cache_ijka_uhf(cachelist);
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/*** Cache oooo, ooov, oovv, and ovov ***/
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cache_ijkl_uhf(cachelist);
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cache_ijka_uhf(cachelist);
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cache_ijab_uhf(cachelist);
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cache_iajb_uhf(cachelist);
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/*** Cache, oooo, oov, oovv, ovov, and ovvv ***/
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cache_ijkl_uhf(cachelist);
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cache_ijka_uhf(cachelist);
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cache_ijab_uhf(cachelist);
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cache_iajb_uhf(cachelist);
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cache_iabc_uhf(cachelist);
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/*** Cache everything ***/
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cache_ijkl_uhf(cachelist);
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cache_ijka_uhf(cachelist);
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cache_ijab_uhf(cachelist);
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cache_iajb_uhf(cachelist);
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cache_iabc_uhf(cachelist);
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cache_abcd_uhf(cachelist);
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else { printf("Error: invalid cache level!\n"); exit(PSI_RETURN_FAILURE); }
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int **cacheprep_rhf(int level, int *cachefiles)
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/* The listing of CC files whose entries may be cached */
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cachefiles[CC_AINTS] = 1;
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cachefiles[CC_CINTS] = 1;
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cachefiles[CC_DINTS] = 1;
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cachefiles[CC_EINTS] = 1;
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cachefiles[CC_DENOM] = 1;
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cachefiles[CC_TAMPS] = 1;
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cachefiles[CC_LAMPS] = 1;
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cachefiles[CC_HBAR] = 1;
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/* The listing of DPD patterns which may be cached */
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cachelist = init_int_matrix(12,12);
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if(level == 0) return cachelist;
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else if(level == 1) {
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/*** Cache oooo and ooov ***/
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cache_ijkl_rhf(cachelist);
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cache_ijka_rhf(cachelist);
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else if(level == 2) {
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/*** Cache oooo, ooov, oovv, and ovov ***/
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cache_ijkl_rhf(cachelist);
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cache_ijka_rhf(cachelist);
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cache_ijab_rhf(cachelist);
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cache_iajb_rhf(cachelist);
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else if(level == 3) {
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/*** Cache, oooo, oov, oovv, ovov, and ovvv ***/
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cache_ijkl_rhf(cachelist);
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cache_ijka_rhf(cachelist);
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cache_ijab_rhf(cachelist);
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cache_iajb_rhf(cachelist);
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cache_iabc_rhf(cachelist);
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else if(level == 4) {
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/*** Cache everything ***/
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cache_ijkl_rhf(cachelist);
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cache_ijka_rhf(cachelist);
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cache_ijab_rhf(cachelist);
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cache_iajb_rhf(cachelist);
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cache_iabc_rhf(cachelist);
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cache_abcd_rhf(cachelist);
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else { printf("Error: invalid cache level!\n"); exit(PSI_RETURN_FAILURE); }
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void cache_abcd_uhf(int **cachelist)
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cachelist[15][15] = 1;
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cachelist[15][16] = 1;
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cachelist[15][17] = 1;
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cachelist[15][18] = 1;
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cachelist[15][19] = 1;
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cachelist[16][15] = 1;
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cachelist[16][16] = 1;
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cachelist[16][17] = 1;
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cachelist[16][18] = 1;
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cachelist[16][19] = 1;
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cachelist[17][15] = 1;
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cachelist[17][16] = 1;
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cachelist[17][17] = 1;
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cachelist[17][18] = 1;
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cachelist[17][19] = 1;
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cachelist[18][15] = 1;
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cachelist[18][16] = 1;
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cachelist[18][17] = 1;
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cachelist[18][18] = 1;
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cachelist[18][19] = 1;
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cachelist[19][15] = 1;
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cachelist[19][16] = 1;
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cachelist[19][17] = 1;
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cachelist[19][18] = 1;
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cachelist[19][19] = 1;
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cachelist[28][28] = 1;
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cachelist[29][29] = 1;
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cachelist[28][29] = 1;
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cachelist[29][28] = 1;
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void cache_abcd_rhf(int **cachelist)
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void cache_iabc_rhf(int **cachelist)
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cachelist[10][5] = 1;
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cachelist[10][6] = 1;
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cachelist[10][7] = 1;
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cachelist[10][8] = 1;
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cachelist[10][9] = 1;
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cachelist[11][5] = 1;
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cachelist[11][6] = 1;
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cachelist[11][7] = 1;
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cachelist[11][8] = 1;
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cachelist[11][9] = 1;
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cachelist[5][10] = 1;
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cachelist[5][11] = 1;
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cachelist[6][10] = 1;
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cachelist[6][11] = 1;
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cachelist[7][10] = 1;
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cachelist[7][11] = 1;
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cachelist[8][10] = 1;
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cachelist[8][11] = 1;
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cachelist[9][10] = 1;
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cachelist[9][11] = 1;
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void cache_iabc_uhf(int **cachelist)
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cachelist[20][5] = 1;
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cachelist[20][6] = 1;
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cachelist[20][7] = 1;
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cachelist[20][8] = 1;
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cachelist[20][9] = 1;
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cachelist[21][5] = 1;
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cachelist[21][6] = 1;
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cachelist[21][7] = 1;
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cachelist[21][8] = 1;
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cachelist[21][9] = 1;
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cachelist[5][20] = 1;
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cachelist[5][21] = 1;
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cachelist[6][20] = 1;
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cachelist[6][21] = 1;
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cachelist[7][20] = 1;
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cachelist[7][21] = 1;
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cachelist[8][20] = 1;
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cachelist[8][21] = 1;
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cachelist[9][20] = 1;
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cachelist[9][21] = 1;
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cachelist[30][15] = 1;
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cachelist[30][16] = 1;
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cachelist[30][17] = 1;
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cachelist[30][18] = 1;
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cachelist[30][19] = 1;
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cachelist[31][15] = 1;
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cachelist[31][16] = 1;
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cachelist[31][17] = 1;
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cachelist[31][18] = 1;
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cachelist[31][19] = 1;
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cachelist[15][30] = 1;
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cachelist[15][31] = 1;
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cachelist[16][30] = 1;
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cachelist[16][31] = 1;
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cachelist[17][30] = 1;
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cachelist[17][31] = 1;
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cachelist[18][30] = 1;
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cachelist[18][31] = 1;
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cachelist[19][30] = 1;
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cachelist[19][31] = 1;
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cachelist[24][28] = 1;
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cachelist[24][29] = 1;
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cachelist[25][28] = 1;
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cachelist[25][29] = 1;
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cachelist[28][24] = 1;
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cachelist[28][25] = 1;
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cachelist[29][24] = 1;
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cachelist[29][25] = 1;
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void cache_ijab_rhf(int **cachelist)
381
void cache_ijab_uhf(int **cachelist)
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cachelist[10][15] = 1;
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cachelist[10][16] = 1;
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cachelist[10][17] = 1;
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cachelist[10][18] = 1;
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cachelist[10][19] = 1;
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cachelist[11][15] = 1;
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cachelist[11][16] = 1;
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cachelist[11][17] = 1;
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cachelist[11][18] = 1;
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cachelist[11][19] = 1;
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cachelist[12][15] = 1;
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cachelist[12][16] = 1;
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cachelist[12][17] = 1;
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cachelist[12][18] = 1;
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cachelist[12][19] = 1;
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cachelist[13][15] = 1;
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cachelist[13][16] = 1;
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cachelist[13][17] = 1;
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cachelist[13][18] = 1;
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cachelist[13][19] = 1;
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cachelist[14][15] = 1;
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cachelist[14][16] = 1;
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cachelist[14][17] = 1;
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cachelist[14][18] = 1;
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cachelist[14][19] = 1;
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cachelist[15][10] = 1;
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cachelist[15][11] = 1;
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cachelist[15][12] = 1;
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cachelist[15][13] = 1;
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cachelist[15][14] = 1;
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cachelist[16][10] = 1;
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cachelist[16][11] = 1;
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cachelist[16][12] = 1;
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cachelist[16][13] = 1;
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cachelist[16][14] = 1;
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cachelist[17][10] = 1;
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cachelist[17][11] = 1;
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cachelist[17][12] = 1;
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cachelist[17][13] = 1;
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cachelist[17][14] = 1;
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cachelist[18][10] = 1;
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cachelist[18][11] = 1;
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cachelist[18][12] = 1;
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cachelist[18][13] = 1;
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cachelist[18][14] = 1;
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cachelist[19][10] = 1;
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cachelist[19][11] = 1;
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cachelist[19][12] = 1;
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cachelist[19][13] = 1;
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cachelist[19][14] = 1;
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cachelist[22][28] = 1;
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cachelist[23][28] = 1;
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cachelist[22][29] = 1;
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cachelist[23][29] = 1;
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cachelist[28][22] = 1;
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cachelist[28][23] = 1;
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cachelist[29][22] = 1;
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cachelist[29][23] = 1;
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void cache_iajb_rhf(int **cachelist)
504
cachelist[10][10] = 1;
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cachelist[10][11] = 1;
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cachelist[11][10] = 1;
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cachelist[11][11] = 1;
510
void cache_iajb_uhf(int **cachelist)
513
cachelist[20][20] = 1;
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cachelist[20][21] = 1;
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cachelist[21][20] = 1;
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cachelist[21][21] = 1;
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cachelist[30][30] = 1;
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cachelist[30][31] = 1;
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cachelist[31][30] = 1;
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cachelist[31][31] = 1;
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cachelist[24][24] = 1;
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cachelist[24][25] = 1;
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cachelist[25][24] = 1;
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cachelist[25][25] = 1;
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void cache_ijka_rhf(int **cachelist)
532
cachelist[0][10] = 1;
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cachelist[0][11] = 1;
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cachelist[1][10] = 1;
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cachelist[1][11] = 1;
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cachelist[2][10] = 1;
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cachelist[2][11] = 1;
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cachelist[3][10] = 1;
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cachelist[3][11] = 1;
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cachelist[4][10] = 1;
541
cachelist[4][11] = 1;
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cachelist[10][0] = 1;
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cachelist[10][1] = 1;
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cachelist[10][2] = 1;
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cachelist[10][3] = 1;
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cachelist[10][4] = 1;
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cachelist[11][0] = 1;
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cachelist[11][1] = 1;
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cachelist[11][2] = 1;
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cachelist[11][3] = 1;
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cachelist[11][4] = 1;
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void cache_ijka_uhf(int **cachelist)
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cachelist[0][20] = 1;
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cachelist[0][21] = 1;
560
cachelist[1][20] = 1;
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cachelist[1][21] = 1;
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cachelist[2][20] = 1;
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cachelist[2][21] = 1;
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cachelist[3][20] = 1;
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cachelist[3][21] = 1;
566
cachelist[4][20] = 1;
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cachelist[4][21] = 1;
569
cachelist[20][0] = 1;
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cachelist[20][1] = 1;
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cachelist[20][2] = 1;
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cachelist[20][3] = 1;
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cachelist[20][4] = 1;
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cachelist[21][0] = 1;
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cachelist[21][1] = 1;
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cachelist[21][2] = 1;
577
cachelist[21][3] = 1;
578
cachelist[21][4] = 1;
581
cachelist[10][30] = 1;
582
cachelist[10][31] = 1;
583
cachelist[11][30] = 1;
584
cachelist[11][31] = 1;
585
cachelist[12][30] = 1;
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cachelist[12][31] = 1;
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cachelist[13][30] = 1;
588
cachelist[13][31] = 1;
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cachelist[14][30] = 1;
590
cachelist[14][31] = 1;
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cachelist[30][10] = 1;
593
cachelist[30][11] = 1;
594
cachelist[30][12] = 1;
595
cachelist[30][13] = 1;
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cachelist[30][14] = 1;
597
cachelist[31][10] = 1;
598
cachelist[31][11] = 1;
599
cachelist[31][12] = 1;
600
cachelist[31][13] = 1;
601
cachelist[31][14] = 1;
604
cachelist[22][24] = 1;
605
cachelist[22][25] = 1;
606
cachelist[23][24] = 1;
607
cachelist[23][25] = 1;
609
cachelist[24][22] = 1;
610
cachelist[25][22] = 1;
611
cachelist[24][23] = 1;
612
cachelist[25][23] = 1;
615
void cache_ijkl_rhf(int **cachelist)
645
void cache_ijkl_uhf(int **cachelist)
674
cachelist[10][10] = 1;
675
cachelist[10][11] = 1;
676
cachelist[10][12] = 1;
677
cachelist[10][13] = 1;
678
cachelist[10][14] = 1;
679
cachelist[11][10] = 1;
680
cachelist[11][11] = 1;
681
cachelist[11][12] = 1;
682
cachelist[11][13] = 1;
683
cachelist[11][14] = 1;
684
cachelist[12][10] = 1;
685
cachelist[12][11] = 1;
686
cachelist[12][12] = 1;
687
cachelist[12][13] = 1;
688
cachelist[12][14] = 1;
689
cachelist[13][10] = 1;
690
cachelist[13][11] = 1;
691
cachelist[13][12] = 1;
692
cachelist[13][13] = 1;
693
cachelist[13][14] = 1;
694
cachelist[14][10] = 1;
695
cachelist[14][11] = 1;
696
cachelist[14][12] = 1;
697
cachelist[14][13] = 1;
698
cachelist[14][14] = 1;
700
cachelist[22][22] = 1;
701
cachelist[22][23] = 1;
702
cachelist[23][22] = 1;
703
cachelist[23][23] = 1;
706
void cachedone_uhf(int **cachelist)
708
free_int_matrix(cachelist, 32);
711
void cachedone_rhf(int **cachelist)
713
free_int_matrix(cachelist, 12);
added
removed
src/bin/mp2/cache.c
