12
14
fndcor(&(params.memory),infile,outfile);
16
/* compute the Tamplitude equation matrix elements (usually 0) */
17
params.Tamplitude = 0;
18
errcod = ip_boolean("TAMPLITUDE", &(params.Tamplitude),0);
14
20
params.cachelev = 2;
15
21
errcod = ip_data("CACHELEV", "%d", &(params.cachelev),0);
24
errcod = ip_data("PRINT", "%d", &(params.print),0);
26
errcod = ip_string("WFN", &(params.wfn), 0);
29
if(ip_exist("DERTYPE",0)) {
30
errcod = ip_string("DERTYPE", &(junk),0);
31
if(errcod != IPE_OK) params.dertype = 0;
32
else if(!strcmp(junk,"NONE")) params.dertype = 0;
33
else if(!strcmp(junk,"FIRST")) params.dertype = 1;
34
else if(!strcmp(junk,"RESPONSE")) params.dertype = 3; /* linear response */
36
printf("Invalid value of input keyword DERTYPE: %s\n", junk);
37
exit(PSI_RETURN_FAILURE);
42
/* Should we use the minimal-disk algorithm for Wabei? It's VERY slow! */
43
params.wabei_lowdisk = 0;
44
errcod = ip_boolean("WABEI_LOWDISK", ¶ms.wabei_lowdisk, 0);