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AO
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Merge branch 'develop' into feature/gradeloc
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2016-06-24 09:16:36 +02:00 |
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JASTROW
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Full fortran sources
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2015-12-20 00:54:56 +01:00 |
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MAIN
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Added scripts
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2015-12-20 01:09:14 +01:00 |
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PROPERTIES
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Smaller time step errors
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2016-01-18 20:17:37 +01:00 |
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SAMPLING
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Better time step error in SRMC
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2016-06-24 09:11:37 +02:00 |
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TOOLS
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Less walkers traffic
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2016-04-05 00:48:37 +02:00 |
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ZMQ
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Less walkers traffic
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2016-04-05 00:48:37 +02:00 |
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.gitignore
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Works with gfortran. Fixed ezfio.ml compiling problem.
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2015-12-29 00:48:17 +01:00 |
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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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Removed useless things from EZFIO
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2016-06-22 23:18:21 +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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Removed useless things from EZFIO
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2016-06-22 23:18:21 +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$ SIMD
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2016-06-04 00:48:50 +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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Better prepare_walkers
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2016-03-29 15:20:03 +02:00 |
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properties.py
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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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pseudo.irp.f
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Lagrange interpolation in pseudo
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2016-01-29 19:17:29 +01:00 |
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psi.irp.f
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Removed ao_value and psi_grad_x
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2016-01-11 22:52:47 +01:00 |
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simulation.irp.f
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Added Rousset FKMC algorithm
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2016-03-17 15:56:24 +01:00 |
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types.F
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Added Rousset FKMC algorithm
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2016-03-17 15:56:24 +01:00 |
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wf.irp.f
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Works with gfortran. Fixed ezfio.ml compiling problem.
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2015-12-29 00:48:17 +01:00 |
Anthony Scemama
37baee2024