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QuantumPackage/src/utils_complex
History
Kevin Gasperich 4e199be01a minor converter cleanup
2020-04-27 14:44:38 -05:00
..
create_ezfio_complex_3idx.py
updated converter
2020-03-31 14:20:20 -05:00
debug_mo_map.irp.f
debugging
2020-04-08 11:12:27 -05:00
dump_2e_from_map.irp.f
rename
2020-02-11 18:24:13 -06:00
dump_ao_1e_cplx.irp.f
updated converter
2020-03-12 16:06:31 -05:00
dump_ao_2e_cplx.irp.f
Renaming complex -> cplx
2020-03-05 09:06:29 +01:00
dump_ao_2e_from_df_all.irp.f
fixed problem with iterating over unique 2-electron integrals
2020-02-18 14:11:22 -06:00
dump_ao_2e_from_df.irp.f
fixed problem with iterating over unique 2-electron integrals
2020-02-18 14:11:22 -06:00
dump_df_ao.irp.f
working on 3->4
2020-02-13 16:33:11 -06:00
dump_df_mo.irp.f
debug printing
2020-02-19 12:14:16 -06:00
dump_kcon.irp.f
testing
2020-03-12 18:21:50 -05:00
dump_mo_2e_cplx.irp.f
fixed kpts cipsi
2020-03-26 11:30:15 -05:00
dump_mo_coef.irp.f
debug printing
2020-02-19 12:14:16 -06:00
export_integrals_ao_cplx.irp.f
Renaming complex -> cplx
2020-03-05 09:06:29 +01:00
Gen_Ezfio_from_integral_complex_3idx.sh
updated converter
2020-03-12 16:06:31 -05:00
generate_pyscf_twists.py
converter fixes
2020-04-02 10:04:54 -05:00
import_ao_2e_cplx.irp.f
Renaming complex -> cplx
2020-03-05 09:06:29 +01:00
import_integrals_ao_cplx.irp.f
Renaming complex -> cplx
2020-03-05 09:06:29 +01:00
import_kconserv.irp.f
updated converters and fixed ao df ints
2020-02-17 16:16:46 -06:00
import_mo_coef_cplx.irp.f
Renaming complex -> cplx
2020-03-05 09:06:29 +01:00
MolPyscfToQPkpts.py
minor converter cleanup
2020-04-27 14:44:38 -05:00
NEED
working on 3idx mo ints
2020-02-18 18:32:47 -06:00
qp2-pbc-diff.txt
fixed kpts cipsi
2020-03-26 11:30:15 -05:00
README.rst
rename
2020-02-11 18:24:13 -06:00

README.rst 

=====
dummy
=====

Module necessary to avoid the ``xxx  is a root module but does not contain a main file`` message.