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PTEROSOR
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QuantumPackage
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https://github.com/QuantumPackage/qp2.git
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2025-04-28 19:25:02 +02:00
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QuantumPackage
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plugins
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local
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extra_basis_int
History
eginer
e2550f6d99
added the possibility to read/write the extra grid and modified the script to copy the grid
2025-04-01 16:18:07 +02:00
..
ao_overlap.irp.f
added direct, exchange between extra_basis and usual basis, together with a tuto in ao_extra_basis
2025-03-12 12:25:09 +01:00
coul_1s.irp.f
modified fit_1s_basis.irp.f
2025-03-11 23:51:57 +01:00
extra_basis_int.irp.f
added exchange integrals
2025-03-12 11:25:27 +01:00
NEED
added the possibility to read/write the extra grid and modified the script to copy the grid
2025-04-01 16:18:07 +02:00
pot_ao_ints.irp.f
added direct, exchange between extra_basis and usual basis, together with a tuto in ao_extra_basis
2025-03-12 12:25:09 +01:00
README.rst
added extra basis
2024-12-04 15:58:59 +01:00
ref_extra_basis.irp.f
added exchange integrals
2025-03-12 11:25:27 +01:00
test_extra_basis.irp.f
added the possibility to read/write the extra grid and modified the script to copy the grid
2025-04-01 16:18:07 +02:00
two_e_int.irp.f
added exchange integrals
2025-03-12 11:25:27 +01:00
v_mixed_extra.irp.f
added direct, exchange between extra_basis and usual basis, together with a tuto in ao_extra_basis
2025-03-12 12:25:09 +01:00
README.rst
=============== extra_basis_int ===============
