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/*! \file
\ingroup CCENERGY
\brief Enter brief description of file here
*/
#include <cstdio>
#include <cstdlib>
#include <libdpd/dpd.h>
#include "Params.h"
#include "Local.h"
#define EXTERN
#include "globals.h"
namespace psi { namespace ccenergy {
void local_filter_T1(dpdfile2 *T1);
void dijabT2(void);
/* apply denominators to t1 and t2 */
void denom(void)
{
dpdfile2 newtIA, dIA, tIA, newtia, dia, tia;
if (params.ref == 0) {
dpd_file2_init(&newtIA, CC_OEI, 0, 0, 1, "New tIA");
dpd_file2_copy(&newtIA, CC_OEI, "New tIA Increment");
dpd_file2_close(&newtIA);
dpd_file2_init(&newtIA, CC_OEI, 0, 0, 1, "New tIA Increment");
if(params.local && local.filter_singles) {
local_filter_T1(&newtIA);
}
else {
dpd_file2_init(&dIA, CC_OEI, 0, 0, 1, "dIA");
dpd_file2_dirprd(&dIA, &newtIA);
dpd_file2_close(&dIA);
}
dpd_file2_close(&newtIA);
/* Add the new increment to the old tIA to get the New tIA */
dpd_file2_init(&tIA, CC_OEI, 0, 0, 1, "tIA");
dpd_file2_copy(&tIA, CC_OEI, "New tIA");
dpd_file2_close(&tIA);
dpd_file2_init(&newtIA, CC_OEI, 0, 0, 1, "New tIA");
dpd_file2_init(&tIA, CC_OEI, 0, 0, 1, "New tIA Increment");
dpd_file2_axpy(&tIA, &newtIA, 1, 0);
dpd_file2_close(&tIA);
dpd_file2_close(&newtIA);
}
else if (params.ref == 1) {
dpd_file2_init(&newtIA, CC_OEI, 0, 0, 1, "New tIA");
dpd_file2_init(&dIA, CC_OEI, 0, 0, 1, "dIA");
dpd_file2_dirprd(&dIA, &newtIA);
dpd_file2_close(&dIA);
dpd_file2_close(&newtIA);
dpd_file2_init(&newtia, CC_OEI, 0, 0, 1, "New tia");
dpd_file2_init(&dia, CC_OEI, 0, 0, 1, "dia");
dpd_file2_dirprd(&dia, &newtia);
dpd_file2_close(&dia);
dpd_file2_close(&newtia);
}
else if (params.ref == 2) {
dpd_file2_init(&newtIA, CC_OEI, 0, 0, 1, "New tIA");
dpd_file2_init(&dIA, CC_OEI, 0, 0, 1, "dIA");
dpd_file2_dirprd(&dIA, &newtIA);
dpd_file2_close(&dIA);
dpd_file2_close(&newtIA);
dpd_file2_init(&newtia, CC_OEI, 0, 2, 3, "New tia");
dpd_file2_init(&dia, CC_OEI, 0, 2, 3, "dia");
dpd_file2_dirprd(&dia, &newtia);
dpd_file2_close(&dia);
dpd_file2_close(&newtia);
}
dijabT2();
return;
}
}} // namespace psi::ccenergy
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