2
#include <libdpd/dpd.h>
6
void L1_build(int L_irr, int root_L_irr) {
7
dpdfile2 newLIA, newLia, LIA, Lia;
8
dpdfile2 dIA, dia, Fme, FME;
9
dpdfile2 LFaet2, LFAEt2, LFmit2, LFMIt2;
10
dpdfile2 GMI, Gmi, Gae;
12
dpdbuf4 WMBEJ, Wmbej, WMbEj, WmBeJ;
13
dpdbuf4 WMBIJ, Wmbij, WMbIj, WmBiJ;
14
dpdbuf4 LIJAB, Lijab, LIjAb, LiJaB, L2;
15
dpdbuf4 WMNIE, Wmnie, WMnIe, WmNiE;
16
dpdbuf4 WAMEF, Wamef, WAmEf, WaMeF, W;
18
/* ground state homogeneous term is Fme */
20
if(params.ref == 0 || params.ref == 1) {
21
dpd_file2_init(&Fme,CC_OEI, 0, 0, 1, "Fme");
22
dpd_file2_init(&FME,CC_OEI, 0, 0, 1, "FME");
23
dpd_file2_copy(&Fme, CC_OEI, "New Lia");
24
dpd_file2_copy(&FME, CC_OEI, "New LIA");
25
dpd_file2_close(&Fme);
26
dpd_file2_close(&FME);
28
else if(params.ref == 2) {
29
dpd_file2_init(&Fme,CC_OEI, 0, 2, 3, "Fme");
30
dpd_file2_init(&FME,CC_OEI, 0, 0, 1, "FME");
31
dpd_file2_copy(&Fme, CC_OEI, "New Lia");
32
dpd_file2_copy(&FME, CC_OEI, "New LIA");
33
dpd_file2_close(&Fme);
34
dpd_file2_close(&FME);
37
/* excited state - no homogenous term, first term is E*L */
39
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "LIA");
40
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
41
if (params.ref == 0 || params.ref == 1) {
42
dpd_file2_init(&Lia, CC_OEI, L_irr, 0, 1, "Lia");
43
dpd_file2_init(&newLia, CC_OEI, L_irr, 0, 1, "New Lia");
45
else if (params.ref == 2) {
46
dpd_file2_init(&Lia, CC_OEI, L_irr, 2, 3, "Lia");
47
dpd_file2_init(&newLia, CC_OEI, L_irr, 2, 3, "New Lia");
49
dpd_file2_axpy(&LIA, &newLIA, -1.0 * params.cceom_energy[L_irr][root_L_irr],0.0);
50
dpd_file2_axpy(&Lia, &newLia, -1.0 * params.cceom_energy[L_irr][root_L_irr],0.0);
51
dpd_file2_close(&LIA);
52
dpd_file2_close(&newLIA);
53
dpd_file2_close(&Lia);
54
dpd_file2_close(&newLia);
57
if(params.ref == 0 || params.ref == 1) {
58
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
59
dpd_file2_init(&newLia, CC_OEI, L_irr, 0, 1, "New Lia");
61
else if(params.ref == 2) {
62
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
63
dpd_file2_init(&newLia, CC_OEI, L_irr, 2, 3, "New Lia");
66
/* L0=0 for excited states, so no inhomogeneous Fia and Wijab terms */
67
/* make sure these are not nonzero from last iteration */
70
dpd_file2_scm(&newLIA, 0.0);
71
dpd_file2_scm(&newLia, 0.0);
75
if(params.ref == 0 || params.ref == 1) { /** RHF/ROHF **/
77
/* L1 RHS += Lie*Fea */
78
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "LIA");
79
dpd_file2_init(&Lia, CC_OEI, L_irr, 0, 1, "Lia");
81
dpd_file2_init(&LFAEt2, CC_OEI, 0, 1, 1, "FAE");
82
dpd_file2_init(&LFaet2, CC_OEI, 0, 1, 1, "Fae");
83
dpd_contract222(&Lia,&LFaet2,&newLia, 0, 1, 1.0, 1.0);
84
dpd_contract222(&LIA,&LFAEt2,&newLIA, 0, 1, 1.0, 1.0);
85
dpd_file2_close(&LFaet2);
86
dpd_file2_close(&LFAEt2);
88
/* L1 RHS += -Lma*Fim */
89
dpd_file2_init(&LFMIt2,CC_OEI, 0, 0, 0, "FMI");
90
dpd_file2_init(&LFmit2,CC_OEI, 0, 0, 0, "Fmi");
91
dpd_contract222(&LFmit2,&Lia,&newLia, 0, 1, -1.0, 1.0);
92
dpd_contract222(&LFMIt2,&LIA,&newLIA, 0, 1, -1.0, 1.0);
93
dpd_file2_close(&LFmit2);
94
dpd_file2_close(&LFMIt2);
96
/* L1 RHS += Lme*Wieam */
97
dpd_buf4_init(&WMBEJ, CC_HBAR, 0, 10, 10, 10, 10, 0, "WMBEJ");
98
dpd_contract422(&WMBEJ, &LIA, &newLIA, 0, 0, 1.0, 1.0);
99
dpd_buf4_close(&WMBEJ);
101
dpd_buf4_init(&WMbEj, CC_HBAR, 0, 10, 10, 10, 10, 0, "WMbEj");
102
dpd_contract422(&WMbEj, &Lia, &newLIA, 0, 0, 1.0, 1.0);
103
dpd_buf4_close(&WMbEj);
105
dpd_buf4_init(&Wmbej, CC_HBAR, 0, 10, 10, 10, 10, 0, "Wmbej");
106
dpd_contract422(&Wmbej, &Lia, &newLia, 0, 0, 1.0, 1.0);
107
dpd_buf4_close(&Wmbej);
109
dpd_buf4_init(&WmBeJ, CC_HBAR, 0, 10, 10, 10, 10, 0, "WmBeJ");
110
dpd_contract422(&WmBeJ, &LIA, &newLia, 0, 0, 1.0, 1.0);
111
dpd_buf4_close(&WmBeJ);
113
dpd_file2_close(&LIA);
114
dpd_file2_close(&Lia);
116
else if(params.ref == 2) { /** UHF **/
118
/* L1 RHS += Lie*Fea */
119
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "LIA");
120
dpd_file2_init(&Lia, CC_OEI, L_irr, 2, 3, "Lia");
122
dpd_file2_init(&LFAEt2, CC_OEI, 0, 1, 1, "FAEt");
123
dpd_file2_init(&LFaet2, CC_OEI, 0, 3, 3, "Faet");
124
dpd_contract222(&Lia,&LFaet2,&newLia, 0, 1, 1, 1);
125
dpd_contract222(&LIA,&LFAEt2,&newLIA, 0, 1, 1, 1);
126
dpd_file2_close(&LFaet2);
127
dpd_file2_close(&LFAEt2);
129
/* L1 RHS += -Lma*Fim */
130
dpd_file2_init(&LFMIt2,CC_OEI, 0, 0, 0, "FMIt");
131
dpd_file2_init(&LFmit2,CC_OEI, 0, 2, 2, "Fmit");
132
dpd_contract222(&LFmit2,&Lia,&newLia, 0, 1, -1, 1);
133
dpd_contract222(&LFMIt2,&LIA,&newLIA, 0, 1, -1, 1);
134
dpd_file2_close(&LFmit2);
135
dpd_file2_close(&LFMIt2);
137
/* L1 RHS += Lme*Wieam */
138
dpd_buf4_init(&WMBEJ, CC_HBAR, 0, 20, 20, 20, 20, 0, "WMBEJ");
139
dpd_contract422(&WMBEJ, &LIA, &newLIA, 0, 0, 1, 1);
140
dpd_buf4_close(&WMBEJ);
142
dpd_buf4_init(&WMbEj, CC_HBAR, 0, 20, 30, 20, 30, 0, "WMbEj");
143
dpd_contract422(&WMbEj, &Lia, &newLIA, 0, 0, 1, 1);
144
dpd_buf4_close(&WMbEj);
146
dpd_buf4_init(&Wmbej, CC_HBAR, 0, 30, 30, 30, 30, 0, "Wmbej");
147
dpd_contract422(&Wmbej, &Lia, &newLia, 0, 0, 1, 1);
148
dpd_buf4_close(&Wmbej);
150
dpd_buf4_init(&WmBeJ, CC_HBAR, 0, 30, 20, 30, 20, 0, "WmBeJ");
151
dpd_contract422(&WmBeJ, &LIA, &newLia, 0, 0, 1, 1);
152
dpd_buf4_close(&WmBeJ);
154
dpd_file2_close(&LIA);
155
dpd_file2_close(&Lia);
158
/* L1 RHS += 1/2 Limef*Wefam */
159
if(params.ref == 0 || params.ref == 1) {
161
dpd_buf4_init(&W, CC_HBAR, 0, 11, 7, 11, 7, 0, "WEIAB");
162
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 0, 7, 2, 7, 0, "LIJAB");
163
dpd_contract442(&L2, &W, &newLIA, 0, 0, 1.0, 1.0);
166
dpd_buf4_init(&W, CC_HBAR, 0, 11, 5, 11, 5, 0, "WEiAb");
167
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 0, 5, 0, 5, 0, "LIjAb");
168
dpd_contract442(&L2, &W, &newLIA, 0, 0, 1.0, 1.0);
172
dpd_buf4_init(&W, CC_HBAR, 0, 11, 7, 11, 7, 0, "Weiab");
173
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 0, 7, 2, 7, 0, "Lijab");
174
dpd_contract442(&L2, &W, &newLia, 0, 0, 1.0, 1.0);
177
dpd_buf4_init(&W, CC_HBAR, 0, 11, 5, 11, 5, 0, "WeIaB");
178
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 0, 5, 0, 5, 0, "LiJaB");
179
dpd_contract442(&L2, &W, &newLia, 0, 0, 1.0, 1.0);
183
else if(params.ref == 2) {
185
dpd_buf4_init(&W, CC_HBAR, 0, 21, 7, 21, 7, 0, "WEIAB");
186
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 0, 7, 2, 7, 0, "LIJAB");
187
dpd_contract442(&L2, &W, &newLIA, 0, 0, 1, 1);
190
dpd_buf4_init(&W, CC_HBAR, 0, 26, 28, 26, 28, 0, "WEiAb");
191
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 22, 28, 22, 28, 0, "LIjAb");
192
dpd_contract442(&L2, &W, &newLIA, 0, 0, 1, 1);
196
dpd_buf4_init(&W, CC_HBAR, 0, 31, 17, 31, 17, 0, "Weiab");
197
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 10, 17, 12, 17, 0, "Lijab");
198
dpd_contract442(&L2, &W, &newLia, 0, 0, 1, 1);
201
dpd_buf4_init(&W, CC_HBAR, 0, 25, 29, 25, 29, 0, "WeIaB");
202
dpd_buf4_init(&L2, CC_LAMBDA, L_irr, 23, 29, 23, 29, 0, "LiJaB");
203
dpd_contract442(&L2, &W, &newLia, 0, 0, 1, 1);
209
/* L1 RHS += -1/2 Lmnae*Wiemn */
210
if(params.ref == 0 || params.ref == 1) {
212
dpd_buf4_init(&WMBIJ, CC_HBAR, 0, 10, 2, 10, 2, 0, "WMBIJ");
213
dpd_buf4_init(&LIJAB, CC_LAMBDA, L_irr, 2, 5, 2, 7, 0, "LIJAB");
214
dpd_contract442(&WMBIJ, &LIJAB, &newLIA, 0, 2, -1.0, 1.0);
215
dpd_buf4_close(&LIJAB);
216
dpd_buf4_close(&WMBIJ);
218
dpd_buf4_init(&WMbIj, CC_HBAR, 0, 10, 0, 10, 0, 0, "WMbIj");
219
dpd_buf4_init(&LIjAb, CC_LAMBDA, L_irr, 0, 5, 0, 5, 0, "LIjAb");
220
dpd_contract442(&WMbIj, &LIjAb, &newLIA, 0, 2, -1.0, 1.0);
221
dpd_buf4_close(&LIjAb);
222
dpd_buf4_close(&WMbIj);
224
dpd_buf4_init(&Wmbij, CC_HBAR, 0, 10, 2, 10, 2, 0, "Wmbij");
225
dpd_buf4_init(&Lijab, CC_LAMBDA, L_irr, 2, 5, 2, 7, 0, "Lijab");
226
dpd_contract442(&Wmbij, &Lijab, &newLia, 0, 2, -1.0, 1.0);
227
dpd_buf4_close(&Lijab);
228
dpd_buf4_close(&Wmbij);
230
dpd_buf4_init(&WmBiJ, CC_HBAR, 0, 10, 0, 10, 0, 0, "WmBiJ");
231
dpd_buf4_init(&LiJaB, CC_LAMBDA, L_irr, 0, 5, 0, 5, 0, "LiJaB");
232
dpd_contract442(&WmBiJ, &LiJaB, &newLia, 0, 2, -1.0, 1.0);
233
dpd_buf4_close(&LiJaB);
234
dpd_buf4_close(&WmBiJ);
236
else if(params.ref == 2) {
238
dpd_buf4_init(&WMBIJ, CC_HBAR, 0, 20, 2, 20, 2, 0, "WMBIJ");
239
dpd_buf4_init(&LIJAB, CC_LAMBDA, L_irr, 2, 5, 2, 7, 0, "LIJAB");
240
dpd_contract442(&WMBIJ, &LIJAB, &newLIA, 0, 2, -1, 1);
241
dpd_buf4_close(&LIJAB);
242
dpd_buf4_close(&WMBIJ);
244
dpd_buf4_init(&WMbIj, CC_HBAR, 0, 24, 22, 24, 22, 0, "WMbIj");
245
dpd_buf4_init(&LIjAb, CC_LAMBDA, L_irr, 22, 28, 22, 28, 0, "LIjAb");
246
dpd_contract442(&WMbIj, &LIjAb, &newLIA, 0, 2, -1, 1);
247
dpd_buf4_close(&LIjAb);
248
dpd_buf4_close(&WMbIj);
250
dpd_buf4_init(&Wmbij, CC_HBAR, 0, 30, 12, 30, 12, 0, "Wmbij");
251
dpd_buf4_init(&Lijab, CC_LAMBDA, L_irr, 12, 15, 12, 17, 0, "Lijab");
252
dpd_contract442(&Wmbij, &Lijab, &newLia, 0, 2, -1, 1);
253
dpd_buf4_close(&Lijab);
254
dpd_buf4_close(&Wmbij);
256
dpd_buf4_init(&WmBiJ, CC_HBAR, 0, 27, 23, 27, 23, 0, "WmBiJ");
257
dpd_buf4_init(&LiJaB, CC_LAMBDA, L_irr, 23, 29, 23, 29, 0, "LiJaB");
258
dpd_contract442(&WmBiJ, &LiJaB, &newLia, 0, 2, -1, 1);
259
dpd_buf4_close(&LiJaB);
260
dpd_buf4_close(&WmBiJ);
264
/* L1 RHS += -Gef*Weifa */
265
if(params.ref == 0 || params.ref == 1) {
267
dpd_file2_init(&GAE, CC_OEI, L_irr, 1, 1, "GAE");
268
dpd_file2_init(&Gae, CC_OEI, L_irr, 1, 1, "Gae");
270
dpd_buf4_init(&WAMEF, CC_HBAR, 0, 10, 5, 10, 7, 0, "WAMEF");
271
dpd_dot23(&GAE,&WAMEF,&newLIA, 0, 0, -1.0, 1.0);
272
dpd_buf4_close(&WAMEF);
274
dpd_buf4_init(&WaMeF, CC_HBAR, 0, 10, 5, 10, 5, 0, "WaMeF");
275
dpd_dot23(&Gae,&WaMeF,&newLIA, 0, 0, -1.0, 1.0);
276
dpd_buf4_close(&WaMeF);
278
dpd_buf4_init(&Wamef, CC_HBAR, 0, 10, 5, 10, 7, 0, "Wamef");
279
dpd_dot23(&Gae,&Wamef,&newLia, 0, 0, -1.0, 1.0);
280
dpd_buf4_close(&Wamef);
282
dpd_buf4_init(&WAmEf, CC_HBAR, 0, 10, 5, 10, 5, 0, "WAmEf");
283
dpd_dot23(&GAE,&WAmEf,&newLia, 0, 0, -1.0, 1.0);
284
dpd_buf4_close(&WAmEf);
286
dpd_file2_close(&Gae);
287
dpd_file2_close(&GAE);
289
else if(params.ref == 2) {
291
dpd_file2_init(&GAE, CC_OEI, L_irr, 1, 1, "GAE");
292
dpd_file2_init(&Gae, CC_OEI, L_irr, 3, 3, "Gae");
294
dpd_buf4_init(&W, CC_HBAR, 0, 21, 5, 21, 7, 0, "WAMEF");
295
dpd_dot13(&GAE,&W,&newLIA, 0, 0, -1, 1);
298
dpd_buf4_init(&W, CC_HBAR, 0, 25, 29, 25, 29, 0, "WaMeF");
299
dpd_dot13(&Gae,&W,&newLIA, 0, 0, -1, 1);
302
dpd_buf4_init(&W, CC_HBAR, 0, 31, 15, 31, 17, 0, "Wamef");
303
dpd_dot13(&Gae,&W,&newLia, 0, 0, -1, 1);
306
dpd_buf4_init(&W, CC_HBAR, 0, 26, 28, 26, 28, 0, "WAmEf");
307
dpd_dot13(&GAE,&W,&newLia, 0, 0, -1, 1);
310
dpd_file2_close(&Gae);
311
dpd_file2_close(&GAE);
315
/* L1 RHS += -Gmn*Wmina */
316
if(params.ref == 0 || params.ref == 1) {
318
dpd_file2_init(&GMI, CC_OEI, L_irr, 0, 0, "GMI");
319
dpd_file2_init(&Gmi, CC_OEI, L_irr, 0, 0, "Gmi");
321
dpd_buf4_init(&WMNIE, CC_HBAR, 0, 0, 11, 2, 11, 0, "WMNIE");
322
dpd_dot14(&GMI, &WMNIE, &newLIA, 0, 0, -1.0, 1.0);
323
dpd_buf4_close(&WMNIE);
325
dpd_buf4_init(&WmNiE, CC_HBAR, 0, 0, 11, 0, 11, 0, "WmNiE");
326
dpd_dot14(&Gmi, &WmNiE, &newLIA, 0, 0, -1.0, 1.0);
327
dpd_buf4_close(&WmNiE);
329
dpd_buf4_init(&Wmnie, CC_HBAR, 0, 0, 11, 2, 11, 0, "Wmnie");
330
dpd_dot14(&Gmi, &Wmnie, &newLia, 0, 0, -1.0, 1.0);
331
dpd_buf4_close(&Wmnie);
333
dpd_buf4_init(&WMnIe, CC_HBAR, 0, 0, 11, 0, 11, 0, "WMnIe");
334
dpd_dot14(&GMI, &WMnIe, &newLia, 0, 0, -1.0, 1.0);
335
dpd_buf4_close(&WMnIe);
337
dpd_file2_close(&Gmi);
338
dpd_file2_close(&GMI);
341
else if(params.ref == 2) {
343
dpd_file2_init(&GMI, CC_OEI, L_irr, 0, 0, "GMI");
344
dpd_file2_init(&Gmi, CC_OEI, L_irr, 2, 2, "Gmi");
346
dpd_buf4_init(&W, CC_HBAR, 0, 0, 21, 2, 21, 0, "WMNIE");
347
dpd_dot14(&GMI, &W, &newLIA, 0, 0, -1, 1);
350
dpd_buf4_init(&W, CC_HBAR, 0, 23, 26, 23, 26, 0, "WmNiE");
351
dpd_dot14(&Gmi, &W, &newLIA, 0, 0, -1, 1);
354
dpd_buf4_init(&W, CC_HBAR, 0, 10, 31, 12, 31, 0, "Wmnie");
355
dpd_dot14(&Gmi, &W, &newLia, 0, 0, -1, 1);
358
dpd_buf4_init(&W, CC_HBAR, 0, 22, 25, 22, 25, 0, "WMnIe");
359
dpd_dot14(&GMI, &W, &newLia, 0, 0, -1, 1);
362
dpd_file2_close(&Gmi);
363
dpd_file2_close(&GMI);
366
dpd_file2_close(&newLIA);
367
dpd_file2_close(&newLia);
370
if(params.ref == 0) { /** RHF **/
372
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
373
dpd_file2_copy(&newLIA, CC_OEI, "New LIA Increment");
374
dpd_file2_close(&newLIA);
376
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA Increment");
377
if(params.local && local.filter_singles) local_filter_T1(&newLIA);
379
dpd_file2_init(&dIA, CC_OEI, L_irr, 0, 1, "dIA");
380
dpd_file2_dirprd(&dIA, &newLIA);
381
dpd_file2_close(&dIA);
383
dpd_file2_close(&newLIA);
385
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "LIA");
386
dpd_file2_copy(&LIA, CC_OEI, "New LIA");
387
dpd_file2_close(&LIA);
388
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
389
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "New LIA Increment");
390
dpd_file2_axpy(&LIA, &newLIA, 1, 0);
391
dpd_file2_close(&LIA);
393
dpd_file2_copy(&newLIA, CC_OEI, "New Lia"); /* spin-adaptation for RHF */
394
dpd_file2_close(&newLIA);
396
else if(params.ref == 1) { /** ROHF **/
398
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
399
dpd_file2_copy(&newLIA, CC_OEI, "New LIA Increment");
400
dpd_file2_close(&newLIA);
402
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA Increment");
403
dpd_file2_init(&dIA, CC_OEI, L_irr, 0, 1, "dIA");
404
dpd_file2_dirprd(&dIA, &newLIA);
405
dpd_file2_close(&dIA);
406
dpd_file2_close(&newLIA);
408
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "LIA");
409
dpd_file2_copy(&LIA, CC_OEI, "New LIA");
410
dpd_file2_close(&LIA);
411
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
412
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "New LIA Increment");
413
dpd_file2_axpy(&LIA, &newLIA, 1, 0);
414
dpd_file2_close(&LIA);
415
dpd_file2_close(&newLIA);
417
dpd_file2_init(&newLia, CC_OEI, L_irr, 0, 1, "New Lia");
418
dpd_file2_copy(&newLia, CC_OEI, "New Lia Increment");
419
dpd_file2_close(&newLia);
421
dpd_file2_init(&newLia, CC_OEI, L_irr, 0, 1, "New Lia Increment");
422
dpd_file2_init(&dia, CC_OEI, L_irr, 0, 1, "dia");
423
dpd_file2_dirprd(&dia, &newLia);
424
dpd_file2_close(&dia);
425
dpd_file2_close(&newLia);
427
dpd_file2_init(&Lia, CC_OEI, L_irr, 0, 1, "Lia");
428
dpd_file2_copy(&Lia, CC_OEI, "New Lia");
429
dpd_file2_close(&Lia);
430
dpd_file2_init(&newLia, CC_OEI, L_irr, 0, 1, "New Lia");
431
dpd_file2_init(&Lia, CC_OEI, L_irr, 0, 1, "New Lia Increment");
432
dpd_file2_axpy(&Lia, &newLia, 1, 0);
433
dpd_file2_close(&Lia);
434
dpd_file2_close(&newLia);
436
else if(params.ref == 2) {
438
dpd_file2_init(&newLIA, CC_OEI, L_irr, 0, 1, "New LIA");
439
dpd_file2_init(&dIA, CC_OEI, L_irr, 0, 1, "dIA");
440
dpd_file2_dirprd(&dIA, &newLIA);
441
dpd_file2_close(&dIA);
442
dpd_file2_close(&newLIA);
444
dpd_file2_init(&newLia, CC_OEI, L_irr, 2, 3, "New Lia");
445
dpd_file2_init(&dia, CC_OEI, L_irr, 2, 3, "dia");
446
dpd_file2_dirprd(&dia, &newLia);
447
dpd_file2_close(&dia);
448
dpd_file2_close(&newLia);
452
check_sum("after L1 build",L_irr);