Index of /public/ghutchis/orca5/ORCACompoundMethods/


../
AILFT_1shell.cmp                                   30-Jun-2021 07:38                2237
AILFT_2shell.cmp                                   30-Jun-2021 07:38                3170
CASCI_nevpts_xas_xmcd.cmp                          30-Jun-2021 07:38                4064
CompoundMethods                                    30-Jun-2021 07:38              139973
CompoundMethodsDescription                         30-Jun-2021 07:38               83994
DLPNO-CC-Energy.cmp                                30-Jun-2021 07:38                2375
G2_MP2.cmp                                         30-Jun-2021 07:38                2652
G2_MP2_Atom.cmp                                    30-Jun-2021 07:38                2833
G2_MP2_SV.cmp                                      30-Jun-2021 07:38                2593
G2_MP2_SVP.cmp                                     30-Jun-2021 07:38                2604
G2_MP2_SVP_Atom.cmp                                30-Jun-2021 07:38                2844
G2_MP2_SV_Atom.cmp                                 30-Jun-2021 07:38                2809
W2-2.cmp                                           30-Jun-2021 07:38                6910
ccCA_CBS_1.cmp                                     30-Jun-2021 07:38                3800
ccCA_CBS_1_Atom.cmp                                30-Jun-2021 07:38                4030
ccCA_CBS_2.cmp                                     30-Jun-2021 07:38                4162
ccCA_CBS_2_Atom.cmp                                30-Jun-2021 07:38                4070
ccCA_DZ_QCISDT_Atom.cmp                            30-Jun-2021 07:38                3342
ccCA_DZ_QCISD_T.cmp                                30-Jun-2021 07:38                3156
ccCA_TZ_QCISD_T.cmp                                30-Jun-2021 07:38                2962
ccCA_TZ_QCISD_T_Atom.cmp                           30-Jun-2021 07:38                3643
ccCA_aTZ_QCISD_T.cmp                               30-Jun-2021 07:38                2743
ccCA_aTZ_QCISD_T_Atom.cmp                          30-Jun-2021 07:38                3017
dft_dipole_moment_solvent_induction.cmp            30-Jun-2021 07:38                2492
dft_solvation_energy.cmp                           30-Jun-2021 07:38                4093
extrapolate_PNO.cmp                                30-Jun-2021 07:38                3217
extrapolate_Peterson.cmp                           30-Jun-2021 07:38                3614
extrapolate_Xantheas_Feller.cmp                    30-Jun-2021 07:38                3104
extrapolate_ep1_mdci.cmp                           30-Jun-2021 07:38                4132
extrapolate_ep1_mp2.cmp                            30-Jun-2021 07:38                3749
extrapolate_ep2_dlpno.cmp                          30-Jun-2021 07:38                6607
extrapolate_ep2_mp2.cmp                            30-Jun-2021 07:38                6138
iterativeOptimization.cmp                          30-Jun-2021 07:38                2565
mrci_xas.cmp                                       30-Jun-2021 07:38                4400
mreom_xas.cmp                                      30-Jun-2021 07:38                4520
runAILFT_1shell.inp                                30-Jun-2021 07:38                  99
runAILFT_2shell.inp                                30-Jun-2021 07:38                  99
runIterativeOptimization.inp                       30-Jun-2021 07:38                 239