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|
JOBFLOW SCF_RHF_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
ENDJOBFLOW SCF_RHF_ENERGY
JOBFLOW SCF_UHF_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
ENDJOBFLOW SCF_UHF_ENERGY
JOBFLOW SCF_UHF_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ENDJOBFLOW SCF_UHF_ENERGY_INSTAB
JOBFLOW LCCSD_RHF_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
linccsd_rhf_ao_sv1_cg.sio
ENDJOBFLOW LCCSD_RHF_ENERGY
JOBFLOW LCCSD_UHF_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
linccsd_uhf_ao_sv2_cg.sio
ENDJOBFLOW LCCSD_UHF_ENERGY
JOBFLOW LCCSD_UHF_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
linccsd_uhf_ao_sv2_cg.sio
ENDJOBFLOW LCCSD_UHF_ENERGY_INSTAB
JOBFLOW LCCSD_UHF_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
linccsd_uhf_ao_sv2_cg.sio
one_grad_herm_uhf_ao_sv1_diis5.sio
two_grad_herm_uhf_ao_sv1.sio
ENDJOBFLOW LCCSD_UHF_GRADIENT
JOBFLOW LCCSD_UHF_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
linccsd_uhf_ao_sv2_cg.sio
one_grad_herm_uhf_ao_sv1_diis5.sio
two_grad_herm_uhf_ao_sv1.sio
ENDJOBFLOW LCCSD_UHF_GRADIENT_INSTAB
JOBFLOW LCCSD_RHF_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
linccsd_rhf_ao_sv1_cg.sio
one_grad_herm_rhf_ao_sv1.sio
two_grad_herm_rhf_ao_sv1.sio
ENDJOBFLOW LCCSD_RHF_GRADIENT
JOBFLOW CCSD_RHF_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
ccsd_rhf_ao_sv1_diis5.sio
ENDJOBFLOW CCSD_RHF_ENERGY
JOBFLOW CCSD_UHF_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
ccsd_uhf_ao_sv2_diis5.sio
ENDJOBFLOW CCSD_UHF_ENERGY
JOBFLOW CCSD_UHF_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_ao_sv2_diis5.sio
ENDJOBFLOW CCSD_UHF_ENERGY_INSTAB
JOBFLOW CCSD_UHF_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
ccsd_uhf_ao_sv2_diis5.sio
lambda_uhf_ao_sv1_new.sio
one_grad_uhf_ao_sv1_diis5.sio
two_grad_uhf_ao_sv1.sio
ENDJOBFLOW CCSD_UHF_GRADIENT
JOBFLOW CCSD_UHF_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_ao_sv2_diis5.sio
lambda_uhf_ao_sv1_new.sio
one_grad_uhf_ao_sv1_diis5.sio
two_grad_uhf_ao_sv1.sio
ENDJOBFLOW CCSD_UHF_GRADIENT_INSTAB
JOBFLOW CCSD_RHF_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
ccsd_rhf_ao_sv1_diis5.sio
lambda_rhf.sio
one_grad_rhf_ao_sv1.sio
two_grad_rhf_ao_sv1.sio
ENDJOBFLOW CCSD_RHF_GRADIENT
JOBFLOW SCF_RHF_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
gradscf.sio
ENDJOBFLOW SCF_RHF_GRADIENT
JOBFLOW SCF_UHF_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
gradscf.sio
ENDJOBFLOW SCF_UHF_GRADIENT
JOBFLOW SCF_UHF_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
gradscf.sio
ENDJOBFLOW SCF_UHF_GRADIENT_INSTAB
JOBFLOW MP2_RHF_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
mp2_rhf_sp.sio
ENDJOBFLOW MP2_RHF_ENERGY
JOBFLOW MP2_UHF_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
mp2_uhf_sp.sio
ENDJOBFLOW MP2_UHF_ENERGY
JOBFLOW MP2_UHF_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
mp2_uhf_sp.sio
ENDJOBFLOW MP2_UHF_ENERGY_INSTAB
JOBFLOW MP2_RHF_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
mp2grad_rhf.sio
ENDJOBFLOW MP2_RHF_GRADIENT
JOBFLOW MP2_UHF_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
mp2grad_uhf.sio
ENDJOBFLOW MP2_UHF_GRADIENT
JOBFLOW MP2_UHF_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
mp2grad_uhf.sio
ENDJOBFLOW MP2_UHF_GRADIENT_INSTAB
JOBFLOW LCCSD_UHF_DROPMO_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
linccsd_uhf_dropmo.sio
ENDJOBFLOW LCCSD_UHF_DROPMO_ENERGY
JOBFLOW LCCSD_UHF_DROPMO_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
linccsd_uhf_dropmo.sio
ENDJOBFLOW LCCSD_UHF_DROPMO_ENERGY_INSTAB
JOBFLOW LCCSD_RHF_DROPMO_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
linccsd_rhf_dropmo.sio
ENDJOBFLOW LCCSD_RHF_DROPMO_ENERGY
JOBFLOW LCCSD_UHF_DROPMO_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
linccsd_uhf_dropmo.sio
expand_lincc.sio
tran_uhf_expanded_lincc.sio
one_grad_herm_uhf_ao_sv1_dropmo_diis5.sio
two_grad_herm_uhf_ao_sv1_dropmo.sio
ENDJOBFLOW LCCSD_UHF_DROPMO_GRADIENT
JOBFLOW LCCSD_UHF_DROPMO_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
linccsd_uhf_dropmo.sio
expand_lincc.sio
tran_uhf_expanded_lincc.sio
one_grad_herm_uhf_ao_sv1_dropmo_diis5.sio
two_grad_herm_uhf_ao_sv1_dropmo.sio
ENDJOBFLOW LCCSD_UHF_DROPMO_GRADIENT_INSTAB
JOBFLOW LCCSD_RHF_DROPMO_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
linccsd_rhf_dropmo.sio
expand_linccsd_rhf.sio
tran_rhf_expanded_lincc.sio
one_grad_herm_rhf_ao_sv1_dropmo.sio
two_grad_herm_rhf_ao_sv1.sio
ENDJOBFLOW LCCSD_RHF_DROPMO_GRADIENT
JOBFLOW CCSD_UHF_DROPMO_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
ccsd_uhf_dropmo.sio
ENDJOBFLOW CCSD_UHF_DROPMO_ENERGY
JOBFLOW CCSD_UHF_DROPMO_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_dropmo.sio
ENDJOBFLOW CCSD_UHF_DROPMO_ENERGY_INSTAB
JOBFLOW CCSD_RHF_DROPMO_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
ccsd_rhf_ao_sv1_diis5.sio
ENDJOBFLOW CCSD_RHF_DROPMO_ENERGY
JOBFLOW CCSD_UHF_DROPMO_GRADIENT
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
ccsd_uhf_dropmo.sio
lambda_uhf_dropmo_new.sio
expand_cc.sio
tran_uhf_expanded.sio
one_grad_uhf_ao_sv1_dropmo_diis5.sio
two_grad_uhf_ao_sv1_dropmo.sio
ENDJOBFLOW CCSD_UHF_DROPMO_GRADIENT
JOBFLOW CCSD_UHF_DROPMO_GRADIENT_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_dropmo.sio
lambda_uhf_dropmo_new.sio
expand_cc.sio
tran_uhf_expanded.sio
one_grad_uhf_ao_sv1_dropmo_diis5.sio
two_grad_uhf_ao_sv1_dropmo.sio
ENDJOBFLOW CCSD_UHF_DROPMO_GRADIENT_INSTAB
JOBFLOW CCSD_RHF_DROPMO_GRADIENT
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
ccsd_rhf_ao_sv1_diis5.sio
lambda_rhf_dropmo_new.sio
expand_ccsd_rhf.sio
tran_rhf_expanded.sio
one_grad_rhf_ao_sv1_dropmo.sio
two_grad_rhf_ao_sv1.sio
ENDJOBFLOW CCSD_RHF_DROPMO_GRADIENT
JOBFLOW CCSD_RHF_TRIPLES_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
rccsd_rhf.sio
rccsdpt_aaa.sio
rccsdpt_aab.sio
ENDJOBFLOW CCSD_RHF_TRIPLES_ENERGY
JOBFLOW CCSD_UHF_TRIPLES_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
rccsd_uhf.sio
urccsdpt_aaa.sio
urccsdpt_bbb.sio
urccsdpt_aab.sio
urccsdpt_bba.sio
ENDJOBFLOW CCSD_UHF_TRIPLES_ENERGY
JOBFLOW CCSD_UHF_TRIPLES_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_ao_sv1_diis5.sio
ccsdpt_uhf_aax_new.sio
ccsdpt_uhf_bbx_new.sio
ENDJOBFLOW CCSD_UHF_TRIPLES_ENERGY_INSTAB
JOBFLOW CCSD_RHF_DROPMO_TRIPLES_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
rccsd_rhf.sio
rccsdpt_aaa.sio
rccsdpt_aab.sio
ENDJOBFLOW CCSD_RHF_DROPMO_TRIPLES_ENERGY
JOBFLOW CCSD_UHF_DROPMO_TRIPLES_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
tran_uhf_ao_sv1.sio
rccsd_uhf.sio
urccsdpt_aaa.sio
urccsdpt_bbb.sio
urccsdpt_aab.sio
urccsdpt_bba.sio
ENDJOBFLOW CCSD_UHF_DROPMO_TRIPLES_ENERGY
JOBFLOW CCSD_UHF_DROPMO_TRIPLES_ENERGY_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
ccsd_uhf_dropmo.sio
ccsdpt_uhf_aax_new.sio
ccsdpt_uhf_bbx_new.sio
ENDJOBFLOW CCSD_UHF_DROPMO_TRIPLES_ENERGY_INSTAB
JOBFLOW SCF_RHF_HESSIAN
scf_aguess.sio
scf_rhf_aguess.sio
hess_uhf_scf.sio
ENDJOBFLOW SCF_RHF_HESSIAN
JOBFLOW SCF_UHF_HESSIAN
scf_aguess.sio
scf_uhf_aguess.sio
hess_uhf_scf.sio
ENDJOBFLOW SCF_UHF_HESSIAN
JOBFLOW SCF_UHF_HESSIAN_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
hess_uhf_scf.sio
ENDJOBFLOW SCF_UHF_HESSIAN_INSTAB
JOBFLOW MP2_RHF_HESSIAN
scf_aguess.sio
scf_rhf_aguess.sio
hess_rhf_mp2_seg.sio
ENDJOBFLOW MP2_RHF_HESSIAN
JOBFLOW MP2_UHF_HESSIAN
scf_aguess.sio
scf_uhf_aguess.sio
hess_uhf_mp2_seg.sio
ENDJOBFLOW MP2_UHF_HESSIAN
JOBFLOW MP2_UHF_HESSIAN_INSTAB
scf_uhf_init.sio
guess_scf_uhf_finish.sio
tran_uhf_ao_sv1.sio
instab_scf_uhf_mo_ao.sio
hess_uhf_mp2_seg.sio
ENDJOBFLOW MP2_UHF_HESSIAN_INSTAB
JOBFLOW EOM_RHF_CCSD_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
xreom_rhf_pro.sio
ENDJOBFLOW EOM_RHF_CCSD_ENERGY
JOBFLOW EOM_UHF_CCSD_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
cis_uhf.sio
eccsd_uhf.sio
elambda_uhf_ao_sv1.sio
reom_uhf_prop.sio
eomccsd_density_uhf.sio
ENDJOBFLOW EOM_UHF_CCSD_ENERGY
JOBFLOW EOM_RHF_CCSD_DROPMO_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
xreom_rhf_pro.sio
ENDJOBFLOW EOM_RHF_CCSD_DROPMO_ENERGY
JOBFLOW EOM_UHF_CCSD_DROPMO_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
cis_uhf.sio
eccsd_uhf.sio
elambda_uhf_ao_sv1.sio
reom_uhf_prop.sio
eomccsd_density_uhf.sio
ENDJOBFLOW EOM_UHF_CCSD_DROPMO_ENERGY
JOBFLOW EOM_RHF_CCSD_DENS_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
xreom_rhf_pro.sio
ENDJOBFLOW EOM_RHF_CCSD_DENS_ENERGY
JOBFLOW EOM_UHF_CCSD_DENS_ENERGY
scf_aguess.sio
scf_uhf_aguess.sio
cis_uhf.sio
eccsd_uhf.sio
elambda_uhf_ao_sv1.sio
reom_uhf_prop.sio
eomccsd_density_uhf.sio
ENDJOBFLOW EOM_UHF_CCSD_DENS_ENERGY
JOBFLOW LCCSDPT_RHF_ENERGY
scf_aguess.sio
scf_rhf_aguess.sio
tran_rhf_ao_sv1.sio
ccsd_rhf_ao_sv1_diis5.sio
lambda_rhf.sio
lccsdpt_rhf_aaa.sio
lccsdpt_rhf_aab.sio
ENDJOBFLOW LCCSDPT_RHF_ENERGY
EOMCCSD_RHF_PROPERTY_RDAG
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
reom_rhf_prop.sio
eomccsd_density_rhf.sio
EOMCCSD_UHF_PROPERY_RDAG
scf_aguess.sio
scf_uhf_aguess.sio
cis_uhf.sio
eccsd_uhf.sio
elambda_uhf_ao_sv1.sio
reom_uhf_prop.sio
eomccsd_density_uhf.sio
EOMCCSD_RHF_PROPERTY_LEFT
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
reom_rhf_prop.sio
leom_rhf.sio
eomccsd_density_rhf.sio
EOMCCSD_UHF_PROPERY_LEFT
scf_aguess.sio
scf_uhf_aguess.sio
cis_uhf.sio
eccsd_uhf.sio
elambda_uhf_ao_sv1.sio
reom_uhf_prop.sio
leom_uhf.sio
eomccsd_density_uhf.sio
EOMCCSD_RHF_TRIPLES_RDAG
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
reom_rhf_prop.sio
eomccsdpt_rhf_aaa.sio
eomccsdpt_rhf_aab.sio
eomccsd_density_rhf.sio
EOMCCSD_RHF_TRIPLES_LEFT
scf_aguess.sio
scf_rhf_aguess.sio
cis_rhf.sio
etran_rhf.sio
eccsd_rhf.sio
elambda_rhf.sio
reom_rhf_prop.sio
leom_rhf.sio
leomccsdpr_rhf_aaa.sio
leomccsdpr_rhf_aab.sio
eomccsd_density_rhf.sio
LCCD_RHF_GRAD
scf_aguess.sio
scf_rhf_aguess.sio
lccd_rhf.sio
expand_lccd_rhf.sio
lccd_gtran_rhf.sio
lccd_g1_rhf.sio
lccd_g2_rhf.sio
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