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qp2/src/utils_complex
History
Kevin Gasperich ce87a62086 starting complex determinants
2020-02-19 12:47:22 -06:00
..
create_ezfio_complex_3idx.py
fixed ao to mo 3idx transformation
2020-02-19 12:13:24 -06:00
dump_2e_from_map.irp.f
rename
2020-02-11 18:24:13 -06:00
dump_ao_1e_complex.irp.f
rename
2020-02-11 18:24:13 -06:00
dump_ao_2e_complex.irp.f
working on 3->4
2020-02-13 16:33:11 -06:00
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_mo_2e_complex.irp.f
debug printing
2020-02-19 12:14:16 -06:00
dump_mo_coef.irp.f
debug printing
2020-02-19 12:14:16 -06:00
export_integrals_ao_complex.irp.f
rename
2020-02-11 18:26:28 -06:00
Gen_Ezfio_from_integral_complex_3idx.sh
updated converters and fixed ao df ints
2020-02-17 16:16:46 -06:00
import_ao_2e_complex.irp.f
updated converters and fixed ao df ints
2020-02-17 16:16:46 -06:00
import_integrals_ao_complex.irp.f
working on 3->4
2020-02-13 16:33:11 -06:00
import_kconserv.irp.f
updated converters and fixed ao df ints
2020-02-17 16:16:46 -06:00
import_mo_coef_complex.irp.f
rename
2020-02-11 18:26:28 -06:00
MolPyscfToQPkpts.py
working on 3idx mo ints
2020-02-18 18:32:47 -06:00
NEED
working on 3idx mo ints
2020-02-18 18:32:47 -06:00
qp2-pbc-diff.txt
starting complex determinants
2020-02-19 12:47:22 -06:00
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.