.. |
obj
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create utils
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2019-03-20 13:38:42 +01:00 |
ADC2.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
ADC.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
antisymmetrize_ERI.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AO_values.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
AOtoMO_integral_transform.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AOtoMO_oooa.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AOtoMO_oooo.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AOtoMO_oooooo.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AOtoMO_oovv.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
AOtoMO_transform.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Bethe_Salpeter_A_matrix.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Bethe_Salpeter_B_matrix.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
CCD.f90
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fix CC
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2019-04-19 10:31:14 +02:00 |
CCSD.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
CCSDT.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
chem_to_phys_ERI.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
CIS.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Coulomb_matrix_AO_basis.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Coulomb_matrix_MO_basis.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
dcgw.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
density_matrix.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
density.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
drift.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
evGW.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
exchange_matrix_AO_basis.f90
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UHF is working
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2019-03-19 11:21:34 +01:00 |
exchange_matrix_MO_basis.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
excitation_density_RI.f90
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fix DIIS in GW
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2019-04-01 15:53:39 +02:00 |
excitation_density_SOSEX.f90
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cleanup excitation_energy
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2019-04-02 09:59:30 +02:00 |
excitation_density.f90
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Sph
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2019-04-02 22:58:24 +02:00 |
form_abh.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_delta_OOOVVV.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_delta_OOVV.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_delta_OV.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_EOM_one_body.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
form_EOM_two_body.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
form_g.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_h.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_r1.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_r2.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_T.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_tau.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_u.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_ub.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_ubb.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_v.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
form_X.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
G0W0.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
generate_shell.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
GF2_diag.f90
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fix bug in GF2
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2019-04-29 09:52:21 +02:00 |
GF2.f90
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sph ready
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2019-04-24 15:33:04 +02:00 |
GF3_diag.f90
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fix bug in GF3
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2019-04-29 09:54:36 +02:00 |
Green_function.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Hartree_matrix_AO_basis.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Hartree_matrix_MO_basis.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
initialize_random_generator.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
linear_response_A_matrix.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
linear_response_B_matrix.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
linear_response.f90
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debugging
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2019-04-29 09:43:33 +02:00 |
Makefile
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sph ready
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2019-05-07 22:55:36 +02:00 |
MCMP2.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MinMCMP2.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MOM_overlap.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MOM.f90
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correcting bug in MOM
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2019-05-08 09:06:14 +02:00 |
MOtoAO_transform.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MP2.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MP2F12.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
MP3.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
natural_orbital.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
NDrift.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
Newton.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
norm_trial.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
optimize_timestep.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
orthogonalization_matrix.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
overlap.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
phys_to_chem_ERI.f90
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EOM-CC under way
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2019-03-19 23:02:22 +01:00 |
plot_GW.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
print_evGW.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
print_excitation.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
print_G0W0.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
print_GF2.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
print_GF3.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
print_qsGW.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
print_RHF.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
print_UHF.f90
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UHF is working
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2019-03-19 11:21:34 +01:00 |
qsGW_PT.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
qsGW.f90
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sph ready
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2019-05-07 22:55:36 +02:00 |
QuAcK.f90
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correcting bug in read_integrals
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2019-05-08 08:59:26 +02:00 |
read_F12_integrals.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
read_methods.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
read_MOs.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
read_options.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
renormalization_factor.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
RHF.f90
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correcting bug in MOM
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2019-05-08 09:06:14 +02:00 |
rij.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
self_energy_correlation_diag.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
self_energy_correlation.f90
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
self_energy_exchange.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
spatial_to_spin_ERI.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
spatial_to_spin_MO_energy.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
TDHF.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
transition_probability.f90
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cleanup
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2019-03-19 10:13:33 +01:00 |
UHF.f90
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UHF is working
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2019-03-19 11:21:34 +01:00 |