Commit Graph

1094 Commits

Author SHA1 Message Date
Marek Nečada 884baca199 Add license
Former-commit-id: 08424eb61c2af81d2bf7e782ab63dded93c40b32
2020-06-23 15:23:20 +03:00
Marek Nečada e0e572db3c Update features in README.md
Former-commit-id: bb142ce1812d0d9330f8e60286820aaf105c505a
2020-06-23 15:16:23 +03:00
Marek Nečada 42497939c1 Scattering example ipynb
Former-commit-id: 9a642c465092fc90fd683f360afa45e978ca8afe
2020-06-23 14:53:29 +03:00
Marek Nečada cc8d2644bf size_vs_lMax plot script as in the paper
Former-commit-id: db19f07b9e2c2f92cab16dc2ecd72518e55ce19e
2020-06-23 08:38:07 +03:00
Marek Nečada 14e415dfc5 Add the size vs. lMax script from triton.
Former-commit-id: b2670f5fb1c54242dd670a4e71eb018a85e2ea6c
2020-06-23 08:13:52 +03:00
Marek Nečada 7f2e36e956 Square lattice example mode plot
Former-commit-id: a07106cf57e2d2d7c2c9c19712fc4affbdad3419
2020-06-23 05:48:28 +03:00
Marek Nečada eba5784042 Ewald 1,2D in 3D fix K -> k + K
Former-commit-id: 65f29d42014d7150894e9c9a2bf1c7b71a90172b
2020-06-22 16:36:42 +03:00
Marek Nečada b09dfc8784 Ewald 1D and 2D in 3D notes formulae linewraps
Former-commit-id: 0c671a706fb871e0aa4edd4e981e86fcada2bab4
2020-06-22 09:50:48 +03:00
Marek Nečada 62ba67ebcf 1D and 2D in 3D notes before typesetting changes
Former-commit-id: ad258954b036a932e2f46024caee39d02f651222
2020-06-22 05:46:35 +03:00
Marek Nečada a0b0d72686 Generic 1D _and_ 2D in 3D LR Ewald formula
Former-commit-id: 72de2cbfa9ea1803f8c535eee521f204dce30d40
2020-06-21 21:47:34 +03:00
Marek Nečada 299bb6fc03 Kinda reasonable form of 1D in 3D Ewald.
Former-commit-id: eb5c54026cff0c2889d32cd2c6288e7be2cbb3e9
2020-06-21 18:59:32 +03:00
Marek Nečada cae5cee97d Ewald 1D in 3D: jdu spát
Former-commit-id: 7ed762d676c8f7fb1c4988522d3fca51eb66cc9b
2020-06-16 00:35:03 +03:00
Marek Nečada 827499c3ff WIP Ewald 1D in 3D notes: partial index fix etc.
Former-commit-id: 23b253c8179a8f62e05675fdf2fef26dc484790d
2020-06-15 13:12:26 +03:00
Marek Nečada 0c442ba745 WIP Ewald 1D in 3D
Former-commit-id: e4a1632ef3b0185b67a24bd93fdff8b3de79267c
2020-06-14 21:49:19 +03:00
Marek Nečada a34f3b37d9 Ewald 1D in 3D notes
Former-commit-id: 771165b42dc07d0681588cf1ee4e047d938c1b45
2020-06-12 16:10:28 +03:00
Marek Nečada fec399d16b Notes on τ vs. σ
Former-commit-id: 23add1dc0a6d0190e8fd61dceb9e39f7237dd4c8
2020-06-12 10:14:20 +03:00
Marek Nečada e2584e3163 Notes: periodic Greens functions vs SWF lattice sums
Former-commit-id: 342ee89b71d416f4f452222a69d439738d522fab
2020-06-11 16:26:02 +03:00
Marek Nečada 582f33bb00 WIP examples
Former-commit-id: 23a04ed4d9edb5dd20ce85015edd158cc9bd75b1
2020-06-07 22:28:21 +03:00
Marek Nečada ecf599bb15 WIP hexarray modes example
Former-commit-id: 21c5b46f776d93af936888f46171961fd014489f
2020-06-06 20:44:52 +03:00
Marek Nečada d3cd9b9350 Notes
Former-commit-id: 9b937886f9af544792bc51830d78f1cc785818bc
2020-06-04 13:39:38 +03:00
Marek Nečada 90458af3be Don't pass XYONLY flag when it's not XYONLY
(Caused assertion failed.)


Former-commit-id: 9765414f6c91b114cd84562d5587e586e1e244b3
2020-06-01 16:37:12 +03:00
Marek Nečada 6009de6fa2 Evaluate scattered electric fields in 2d-periodic system.
Former-commit-id: 36386215f9d330a3047cb9a294ccc1de55f2121f
2020-05-31 16:34:09 +03:00
Marek Nečada 3046f03734 PGen_shifted shifted point metagenerator
Former-commit-id: 031bc6609e5cb316fd036c5e82c89e9c4fe6bf20
2020-05-31 13:30:34 +03:00
Marek Nečada 61a2baecb0 Constant factors in general (off-plane) Ewald 2D-in-3D sum
Former-commit-id: a8224c69682b765a36988ee62e399d97cd979f2c
2020-05-30 22:39:20 +03:00
Marek Nečada 97977dbb46 WIP Ewald 2D in 3D general z != 0 constant factors.
Former-commit-id: 787689f357bd8670948ba8ce7d8dc1205ca77d0f
2020-05-29 15:55:52 +03:00
Marek Nečada 975d23b557 Branch selection for Δ_n in Ewald sum
Former-commit-id: 6c3d6e6aa9010bb66975f65397b8a061fac1b5ef
2020-05-28 13:13:08 +03:00
Marek Nečada c50f40a747 Implementation of the Δ_n factor as a series; error estimates.
The error estimate for the recurrence approach is buggy.


Former-commit-id: f5183eaacf6a592461f07f72e04d346a42f9fca6
2020-05-27 15:52:13 +03:00
Marek Nečada c056099d5a Fix signs in the lattice sum Delta (recurrent formula)
Former-commit-id: 9cb3df31e5a8b6395252454a0b85f6ce3459a781
2020-05-26 20:25:04 +03:00
Marek Nečada 93cde82a9a Notes on evaluating Δ_n factor in the lattice sums.
Former-commit-id: f6bf3c3167f8c3f48b552e271b99d3b28b4bfc46
2020-05-26 16:00:20 +03:00
Marek Nečada 626ffd77cd Wrappers for testing z != 0 lattice sum related special functions.
Former-commit-id: a6be46f81850b1c01c72ea96c141c92a98f6ace8
2020-05-22 15:44:20 +03:00
Marek Nečada 85dbf79caa WIP 2D-in-3D Ewald sum for z != 0
Not tested; error estimates not yet implemented.


Former-commit-id: d6886f64eb8b7e137abf6f187f8cd75f21a5f591
2020-05-19 17:10:00 +03:00
Marek Nečada 932f30e9f9 long double literals instead of doubles
Former-commit-id: 27eb992cbe68aef637a7f71bf2dd0f3431fb1439
2020-05-19 15:52:47 +03:00
Marek Nečada 43c2de4f35 CMakeLists for Faddeeva
Former-commit-id: 26b0e909cc50ca962b83d411f67a98f2a21cf259
2020-05-19 15:52:08 +03:00
Steven G. Johnson 206f8b65a1 Фаддеева's functions
Former-commit-id: 9edc05fd17c2571dc607ab9ee2fab591785cd9c3
2020-05-14 15:23:52 +03:00
Marek Nečada a7c95d0ee0 Sliced array driving in finiterectlat-constant-driving.py
Former-commit-id: 72b9caa2a3396606b2aaff8ffcd578702926d10d
2020-05-04 15:26:26 +03:00
Marek Nečada 4bf3bb1bb1 "slice" argument type in argproc.py
Former-commit-id: 35117c0a6c09063c41350bb6bc2e07ef2adf97c0
2020-05-03 21:29:10 +03:00
Marek Nečada 1221012c7b Fix reciprocal basis (transposition) in argproc.py
Former-commit-id: 67df0d195ad0b70b508d1019a7d64c2f37689aeb
2020-04-28 12:58:06 +03:00
Marek Nečada 80efed00fd Plot empty lattice modes in lat2d_realfreqsvd.py
Former-commit-id: 119036b35061cf23846028069ca3d154af6cf80e
2020-04-28 12:45:04 +03:00
Marek Nečada 2f14de7dde Hex example fix K point position; add real freq SVD
Former-commit-id: 5c7c1e2099a649e778beebf9382cd527108db5f4
2020-04-27 16:56:31 +03:00
Marek Nečada 14a5c32202 Adjust eta for each (omega, k) pair to prevent hi-freq breakdown.
This effectively reverts 0b9129, because it does not make to define
Ewald parameter for just each frequency after all...


Former-commit-id: 6a3df5ecc1eecd6c120a74c70df5b747d593aae3
2020-04-26 17:10:47 +03:00
Marek Nečada 999dc7f72e Move MIN,MAX,SQ macros to a common header
Former-commit-id: 5f2598476b090ca3f9254325c1f69315182c8c30
2020-04-26 17:07:59 +03:00
Marek Nečada 8ed4bdb683 Separate Ewald parameter for different frequencies
Former-commit-id: 0b9129fda0224411c2a1d8372fe715db4e071ecd
2020-04-22 16:18:16 +03:00
Marek Nečada 83e76b1f95 Expose Ewald parameter to Python
Former-commit-id: dc3e794f0cb146da3ab8d8dd5e46c81997e8bc51
2020-04-21 23:34:49 +03:00
Marek Nečada 69fd19c019 SVD interval for general 2D lattice
Former-commit-id: f63e2fbd0d5d4dfd103654ca916f251251ba40a6
2020-04-21 11:56:22 +03:00
Marek Nečada 2460f3b644 ScatteringSystem: docstrings, avoid crash on underflow
Former-commit-id: adb2c2b9ec142b881ac722a4fe8188256e8ce589
2020-04-20 17:31:34 +03:00
Marek Nečada fe55f4b391 More general script for 2D lattice modes.
Former-commit-id: 9b734deabc1b010276fe75e59def698c7eb94b65
2020-04-13 08:25:46 +03:00
Marek Nečada 74f6c489ba Fix invalid pointer in pairwise translation matrix.
This caused errors for multi-particle periodic systems.


Former-commit-id: 82e6630e196a1d2d05218519ac296ff1879fc0df
2020-04-12 19:03:37 +03:00
Marek Nečada 3da6e5cfb2 WIP argproc multiparticle; update misc scripts
Former-commit-id: 50986e9e57873f8aca1ec7a8aafaa659434a839f
2020-04-12 10:56:07 +03:00
Marek Nečada c5c148ca40 Fix eigenvalue matrix dimensions in Beyn.
Former-commit-id: 4d3b5269df29897ac09632bc0278a99dce2507d8
2020-04-12 00:48:13 +03:00
Marek Nečada 63aa338891 Fix syntax error which gcc tolerated
Former-commit-id: 696ccbfad8997a9c8935def2ce4406a21a51dcf8
2020-04-11 10:05:28 +03:00