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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-24 13:23:39 +01:00
QuantumPackage/src/utils_complex
2020-02-20 14:56:47 -06:00
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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 working on complex determinants 2020-02-20 14:56:47 -06:00
README.rst rename 2020-02-11 18:24:13 -06:00

=====
dummy
=====

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