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/dports/science/bagel/bagel-1.2.2/src/grad/
H A Dfinite.h70 double energy1_; variable
87 energy1_ = task_->energy(target_state1_); in init()
89 …std::cout << std::setprecision(8) << " Energy = " << energy1_ << " and " << energy2_ << std::endl; in init()
101 double energy1 () const { return energy1_; } in energy1()
/dports/science/bagel/bagel-1.2.2/src/multi/casscf/
H A Dcasgrad.cc385 energy1_ = ref_->energy(target_state1_); in init()
389 …cout << " * Energy gap is: " << setprecision(10) << fabs(energy1_ - energy2_) * au2eV__ <… in init()