2
#include <libciomr/libciomr.h>
3
#include <libiwl/iwl.h>
7
void add_core_ROHF(struct iwlbuf *OutBuf)
17
for(p=nfzc; p < (nmo - nfzv); p++) {
18
for(q=nfzc; q < (nmo - nfzv); q++) {
19
value = moinfo.opdm[p][q];
20
for(m=0; m < nfzc; m++) {
22
iwl_buf_wrt_val(OutBuf, p, q, m, m,value,0,outfile,0);
23
iwl_buf_wrt_val(OutBuf, p, m, m, q,-0.5*value,0,outfile,0);