Commit Graph

93 Commits

Author SHA1 Message Date
Nuwan Yapa 174dc40f20 Reverse engineering units (almost working) 2025-01-30 18:10:41 -05:00
Nuwan Yapa 220dd0eae3 Unit fix (need to understand) 2025-01-29 18:28:59 -05:00
Nuwan Yapa 4f61e8a51f Fixed Green's function issue 2025-01-29 18:24:09 -05:00
Nuwan Yapa 15d23ead77 Use Hartree.h convention for A0 (still wrong) 2025-01-29 13:15:31 -05:00
Nuwan Yapa 4801e9070d Fixed Green's matrix 2025-01-28 18:50:22 -05:00
Nuwan Yapa 4007f2eac2 Fixed some units 2025-01-28 18:03:40 -05:00
Nuwan Yapa c6f607a585 Fixed iteration and another bug 2025-01-28 12:47:39 -05:00
Nuwan Yapa 77dcd1da7a Renaming 2025-01-28 12:34:43 -05:00
Nuwan Yapa 7822c0f168 Compare calculated fields against benchmark 2025-01-28 12:20:30 -05:00
Nuwan Yapa de1b7b8092 Implemented Green's function (not working) 2025-01-24 17:06:12 -05:00
Nuwan Yapa db3a9304e7 Refactor 2025-01-17 12:56:01 -05:00
Nuwan Yapa df833235c8 Relaxed shooting discontinuity check 2024-11-25 12:43:25 -05:00
Nuwan Yapa 00a5f66418 Shooting method for wave function 2024-11-22 18:21:08 -05:00
Nuwan Yapa 0684059359 Constants taken from Hartree.f code 2024-11-22 15:30:30 -05:00
Nuwan Yapa 602fcf1e41 Missed dependency 2024-11-22 11:27:34 -05:00
Nuwan Yapa f49e792ab2 Meson equations (unstable) 2024-07-19 19:46:07 -04:00
Nuwan Yapa 431c9ca31b Benchmark calculated densities 2024-07-19 15:43:52 -04:00
Nuwan Yapa 4d2e258f7e Fix NaN at r=0 2024-07-18 13:08:15 -04:00
Nuwan Yapa 429c2708f4 Only use BigFloat internally 2024-07-17 15:54:19 -04:00
Nuwan Yapa e389adf885 Increase divs 2024-07-17 15:45:04 -04:00
Nuwan Yapa 9e24943a2d Normalize wave function 2024-07-17 15:37:30 -04:00
Nuwan Yapa 5248fdafb3 Calculate density (without normalization, therefore incorrect) 2024-07-16 20:18:36 -04:00
Nuwan Yapa a17d0813a6 Refining combined with wave function calculation 2024-07-16 19:43:46 -04:00
Nuwan Yapa f77e5dfed8 Fixed unstability of wave functions 2024-07-16 18:29:35 -04:00
Nuwan Yapa 6538c30fa8 Calculate and plot wave function 2024-07-01 19:45:43 -04:00
Nuwan Yapa eeb2bb57c7 Docstring fix 2024-07-01 18:28:32 -04:00
Nuwan Yapa 0bc4083978 Accounted for multiplicity when filling orbitals 2024-07-01 14:40:27 -04:00
Nuwan Yapa 0ca19921e1 Find all orbitals and plot 2024-06-21 16:57:01 -04:00
Nuwan Yapa ad2b0449ba Optimization 2024-06-21 14:52:23 -04:00
Nuwan Yapa 384e64e5d1 Tidy 2024-06-21 14:25:31 -04:00
Nuwan Yapa fb92039be4 Constants 2024-06-21 13:36:08 -04:00
Nuwan Yapa 6deee7e47c Regular instead of r_min 2024-06-21 10:58:51 -04:00
Nuwan Yapa d23792b977 Added all potentials and support for protons 2024-06-18 19:26:34 -04:00
Nuwan Yapa ea69624e31 Simplify docstrings 2024-06-18 17:42:16 -04:00
Nuwan Yapa 89ef87d4fe Renamed scalar and vector potentials 2024-06-18 13:04:52 -04:00
Nuwan Yapa a6b9234f10 Elaborate docstring 2024-06-18 12:32:04 -04:00
Nuwan Yapa 48f757f907 Root finding implemented 2024-06-17 18:54:10 -04:00
Nuwan Yapa 23627125f9 Elaborate docstring 2024-06-17 18:34:23 -04:00
Nuwan Yapa 76032eb1c3 Test against Pb208 potential 2024-06-17 18:18:34 -04:00
Nuwan Yapa 45cc39289d Barebones Dirac equation 2024-06-14 17:22:11 -04:00
Nuwan Yapa 9943137d10 Exclude VSCode files entirely 2024-06-14 16:47:30 -04:00
Nuwan Yapa cc452c8fe6 Expand .gitignore 2024-06-14 13:55:35 -04:00
Nuwan Yapa e8671512a4
Initial commit 2024-06-14 13:51:00 -04:00