amp_write.cc File Reference

print out converged right-hand eigenvectors amp_write_RHF() amp_write_UHF() amp_write_ROHF() int namps = number of amplitudes to be printed More...

#include <cstdio>
#include <cstdlib>
#include <cmath>
#include <libdpd/dpd.h>
#include <vector>
#include "MOInfo.h"
#include "Params.h"
#include "globals.h"

Namespaces
namespace	psi
namespace	psi::cceom
Classes
class	psi::cceom::R1_amp
class	psi::cceom::R2_amp
Defines
#define	EXTERN
#define	MIN_TO_SHOW   (1e-5)
Functions
void	psi::cceom::get_largest_R1_amps (dpdfile2 *R1, int namps, vector< R1_amp > &R1s)
void	psi::cceom::get_largest_R2_amps (dpdbuf4 *R2, int namps, vector< R2_amp > &R2_stack)
void	psi::cceom::amp_write_RHF (dpdfile2 *RIA, dpdbuf4 *RIjAb, int namps)
void	psi::cceom::amp_write_UHF (dpdfile2 *RIA, dpdfile2 *Ria, dpdbuf4 *RIJAB, dpdbuf4 *Rijab, dpdbuf4 *RIjAb, int namps)
void	psi::cceom::amp_write_ROHF (dpdfile2 *RIA, dpdfile2 *Ria, dpdbuf4 *RIJAB, dpdbuf4 *Rijab, dpdbuf4 *RIjAb, int namps)

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Detailed Description

print out converged right-hand eigenvectors amp_write_RHF() amp_write_UHF() amp_write_ROHF() int namps = number of amplitudes to be printed