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|
module Psi
module Chkpt
#rb_define_module_function(rubyChkpt, "exist?", RUBYCAST(ruby_psi_chkpt_exist), 1);
def self.exist?(key)
Psi::global_task.exist?(key)
end
#rb_define_module_function(rubyChkpt, "exists?", RUBYCAST(ruby_psi_chkpt_exist), 1);
def self.exists?(key)
Psi::global_task.exists?(key)
end
#rb_define_module_function(rubyChkpt, "label", RUBYCAST(ruby_psi_chkpt_label_get), 0);
def self.label
Psi::global_task.label
end
#rb_define_module_function(rubyChkpt, "escf", RUBYCAST(ruby_psi_chkpt_escf_get), 0);
def self.escf
Psi::global_task.escf
end
#rb_define_module_function(rubyChkpt, "escf=", RUBYCAST(ruby_psi_chkpt_escf_set), 1);
def self.escf=(val)
Psi::global_task.escf=val
end
#rb_define_module_function(rubyChkpt, "eref", RUBYCAST(ruby_psi_chkpt_eref_get), 0);
def self.eref
Psi::global_task.eref
end
#rb_define_module_function(rubyChkpt, "eref=", RUBYCAST(ruby_psi_chkpt_eref_set), 1);
def self.eref=(val)
Psi::global_task.eref=val
end
#rb_define_module_function(rubyChkpt, "ecorr", RUBYCAST(ruby_psi_chkpt_ecorr_get), 0);
def self.ecorr
Psi::global_task.ecorr
end
#rb_define_module_function(rubyChkpt, "ecorr=", RUBYCAST(ruby_psi_chkpt_ecorr_set), 1);
def self.ecorr=(val)
Psi::global_task.ecorr=val
end
#rb_define_module_function(rubyChkpt, "enuc", RUBYCAST(ruby_psi_chkpt_enuc_get), 0);
def self.enuc
Psi::global_task.enuc
end
#rb_define_module_function(rubyChkpt, "enuc=", RUBYCAST(ruby_psi_chkpt_enuc_set), 1);
def self.enuc=(val)
Psi::global_task.enuc=val
end
#rb_define_module_function(rubyChkpt, "efzc", RUBYCAST(ruby_psi_chkpt_efzc_get), 0);
def self.efzc
Psi::global_task.efzc
end
#rb_define_module_function(rubyChkpt, "efzc=", RUBYCAST(ruby_psi_chkpt_efzc_set), 1);
def self.efzc=(val)
Psi::global_task.efzc=val
end
def self.clsdpi=(val)
Psi::global_task.clsdpi=val
end
def self.clsdpi
Psi::global_task.clsdpi
end
def self.exps=(val)
Psi::global_task.exps=val
end
def self.exps
Psi::global_task.exps
end
def self.frzcpi=(val)
Psi::global_task.frzcpi=val
end
def self.frzcpi
Psi::global_task.frzcpi
end
def self.frzvpi=(val)
Psi::global_task.frzvpi=val
end
def self.frzvpi
Psi::global_task.frzvpi
end
def self.load_zmat
Psi::global_task.load_zmat
end
#rb_define_module_function(rubyChkpt, "etot", RUBYCAST(ruby_psi_chkpt_etot_get), 0);
def self.etot
Psi::global_task.etot
end
#rb_define_module_function(rubyChkpt, "etot=", RUBYCAST(ruby_psi_chkpt_etot_set), 1);
def self.etot=(val)
Psi::global_task.etot=val
end
#rb_define_module_function(rubyChkpt, "disp", RUBYCAST(ruby_psi_chkpt_etot_get), 0);
def self.disp
Psi::global_task.disp
end
#rb_define_module_function(rubyChkpt, "disp=", RUBYCAST(ruby_psi_chkpt_etot_set), 1);
def self.disp=(val)
Psi::global_task.disp=val
end
#rb_define_module_function(rubyChkpt, "eccsd", RUBYCAST(ruby_psi_chkpt_eccsd_get), 0);
def self.eccsd
Psi::global_task.eccsd
end
#rb_define_module_function(rubyChkpt, "e_t", RUBYCAST(ruby_psi_chkpt_e_t_get), 0);
def self.e_t
Psi::global_task.e_t
end
def self.emp2
Psi::global_task.emp2
end
def self.num_irreps
Psi::global_task.num_irreps
end
def self.evals
Psi::global_task.evals
end
def self.alpha_evals
Psi::global_task.alpha_evals
end
def self.beta_evals
Psi::global_task.beta_evals
end
def self.evals=(val)
Psi::global_task.evals=val
end
def self.alpha_evals=(val)
Psi::global_task.alpha_evals=val
end
def self.beta_evals=(val)
Psi::global_task.beta_evals=val
end
end
end
|
