This website requires JavaScript.
Explore
Help
Register
Sign In
TREX
/
irpjast
Watch
1
Star
0
Fork
0
You've already forked irpjast
mirror of
https://github.com/TREX-CoE/irpjast.git
synced
2025-05-06 15:24:50 +02:00
Code
Issues
Projects
Releases
Wiki
Activity
34
Commits
8
Branches
0
Tags
Go to file
Code
Clone
HTTPS
Open with VS Code
Open with VSCodium
Open with Intellij IDEA
Download ZIP
Download TAR.GZ
Download BUNDLE
Anthony Scemama
7fd1fd19fd
Optimizations: reduce number of exponentials
2021-01-15 19:13:37 +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
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%
