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Ramon L. PANADES-BARRUETA 907d62e5ac
Merge pull request #2 from Panadestein/as 
Optimizations: reduce number of exponentials
2021-01-17 15:41:36 +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
Optimizations: reduce number of exponentials
2021-01-15 19:13:37 +01:00
deriv_num.irp.f
Fixed printing
2021-01-04 16:45:32 +01:00
el_nuc_el.irp.f
Optimizations: reduce number of exponentials
2021-01-15 19:13:37 +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
Optimizations: reduce number of exponentials
2021-01-15 19:13:37 +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
Optimizations: reduce number of exponentials
2021-01-15 19:13:37 +01:00

README.org

IRPJAST

CHAMP's Jastrow factor computation using the IRPF90 method

Description
No description provided
Readme 8.4 MiB
Languages
Fortran 75.7%
Python 23.2%
Makefile 1.1%