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36 Commits 8 Branches 0 Tags 8.4 MiB
Fortran 75.7%
Python 23.2%
Makefile 1.1%
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Anthony Scemama 916ca5234c Accelerated Jeen
2021-01-17 19:24:56 +01:00
.gitignore Almost functional version. Need correct Cord 2020-11-25 16:59:53 +01:00
codelet_factor_een.f Jee derivatives full (To be tested) 2020-12-14 13:40:47 +01:00
deriv_num Accelerated Jeen 2021-01-17 19:24:56 +01:00
deriv_num.irp.f Fixed printing 2021-01-04 16:45:32 +01:00
el_nuc_el.irp.f Accelerated Jeen 2021-01-17 19:24:56 +01:00
elec_coord.txt Corrected distances 2020-12-08 13:08:23 +01:00
electrons.irp.f Gradient and Laplacian for total jastrow working 2020-12-17 16:44:15 +01:00
geometry.txt Added input files 2020-12-07 10:55:37 +01:00
jast_coeffs.txt Fix nuclei formula 2020-12-08 18:56:36 +01:00
jastrow Accelerated Jeen 2021-01-17 19:24:56 +01:00
jastrow_provider.irp.f Fixed printing 2021-01-04 16:45:32 +01:00
jastrow.irp.f Fixed printing 2021-01-04 16:45:32 +01:00
Makefile Optimizations: reduce number of exponentials 2021-01-15 19:13:37 +01:00
nuclei.irp.f Gradient and Laplacian for total jastrow working 2020-12-17 16:44:15 +01:00
orders.irp.f Jee derivatives full (To be tested) 2020-12-14 13:40:47 +01:00
README.org Initial commit 2020-11-17 21:35:52 +01:00
rescale.irp.f Accelerated Jeen 2021-01-17 19:24:56 +01:00

README.org

IRPJAST

CHAMP's Jastrow factor computation using the IRPF90 method