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AO
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New IRPF90
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2017-06-14 01:11:26 +02:00 |
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JASTROW
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build_psi_SVD
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2021-05-26 09:34:22 +02:00 |
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MAIN
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optimize Jastrow for SCF wavefunction
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2021-04-27 02:38:49 +02:00 |
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PROPERTIES
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Merge lpqlx139:qmcchem
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2021-05-31 14:00:39 +02:00 |
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QMC_SVD
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optimize Jastrow for SCF wavefunction
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2021-04-27 02:38:49 +02:00 |
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SAMPLING
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Fixed exploding energies with pseudos
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2020-05-11 13:49:07 +02:00 |
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TOOLS
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More precise Ylm
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2020-05-24 03:02:00 +02:00 |
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ZMQ
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Jastrow optimization script
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2020-05-04 12:13:06 +02:00 |
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opt_Jast
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build_psi_SVD
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2021-05-26 09:34:22 +02:00 |
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test_SVD
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build_psi_SVD
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2021-05-26 09:39:57 +02:00 |
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.gitignore
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Fixed Makefiles
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2019-10-01 09:36:29 +02:00 |
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Makefile
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Fixed Makefiles
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2019-10-01 09:36:29 +02:00 |
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constants.F
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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det.irp.f
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Fixed dimension
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2021-06-20 00:45:40 +02:00 |
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electrons.irp.f
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Removed padding in sparse_full_mv
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2016-06-03 14:14:27 +02:00 |
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ezfio_interface.irp.f
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befor fixing DGG
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2021-05-31 15:02:15 +02:00 |
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finish.irp.f
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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mo.irp.f
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DIR -> OMP
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2021-05-31 14:01:33 +02:00 |
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mo_point.irp.f
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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nuclei.irp.f
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Changed norm of MOs when the fitcusp is used
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2016-03-17 15:41:47 +01:00 |
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point.irp.f
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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prepare_walkers.irp.f
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optimize Jastrow for SCF wavefunction
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2021-04-27 02:38:49 +02:00 |
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properties.py
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Updates
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2019-07-01 11:32:01 +02:00 |
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pseudo.irp.f
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More precise Ylm
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2020-05-24 03:02:00 +02:00 |
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psi.irp.f
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save_cluster
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2021-04-27 03:32:12 +02:00 |
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psi_SVD.irp.f
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save_cluster
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2021-04-27 03:32:12 +02:00 |
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simulation.irp.f
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Fixed duration of a block
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2017-10-12 15:51:15 +02:00 |
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types.F
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ZV energy
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2016-05-02 21:19:36 +02:00 |
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wf.irp.f
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save_cluster
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2021-04-27 03:32:12 +02:00 |
Anthony Scemama
0a8867cc81