Commit Graph

40 Commits

Author SHA1 Message Date
Marek Nečada 5dba7acd40 Indexing.h C++ compatibility; flag C++ incompatible headers. 2022-06-22 12:33:48 +03:00
Marek Nečada d43ca9026b Restructure headers to ensure ewald.h C++ compatibility 2022-06-22 12:33:48 +03:00
Marek Nečada 0aab207ab0 extern "C" in headers 2022-06-22 12:33:48 +03:00
Marek Nečada 3046f03734 PGen_shifted shifted point metagenerator
Former-commit-id: 031bc6609e5cb316fd036c5e82c89e9c4fe6bf20
2020-05-31 13:30:34 +03:00
Marek Nečada f994514aeb General heap-based lattice point generator compiles, untested.
Former-commit-id: 8106cf72ad1d96426c2273493499db48d232f642
2020-02-25 17:59:33 +02:00
Marek Nečada bf49531666 Experimental support for periodic lattices in scatsys "constructor".
Former-commit-id: 69727f4d415866b948af83c55ed8adb46b651f16
2020-02-14 16:35:55 +02:00
Marek Nečada 0f03509dde Mode frequency calculations for empty lattices.
Former-commit-id: ca14f8d765399c5bf92bb64cc7f1dc6722d53ebb
2019-09-13 11:52:56 +03:00
Marek Nečada 658c564a0c Some 3D lattice functionality, little refactoring.
Former-commit-id: 8e6572c7352e3b9a75bc13585d688f1c72d378e1
2019-09-07 11:23:16 +03:00
Marek Nečada 4d4ab9936b Variable Lovász condition parameter
Former-commit-id: 726d5c1b1dc03a5b11f8d7b32e6bf589efec369d
2019-08-25 21:17:23 +03:00
Marek Nečada 0ea3510575 Lenstra-Lenstra-Lovász lattice basis reduction.
Former-commit-id: 3ada9f1ebf783d07c31671fd81cb6f7d6fe6187b
2019-08-25 18:58:05 +03:00
Marek Nečada 3e6f004605 Compiler warnings, doxygen fixes
Former-commit-id: 2686ab2db0a61327db1ef5ce3799f3e88fea0f49
2019-08-16 11:17:59 +03:00
Marek Nečada 3bb140fdd6 Doxygen
Former-commit-id: e840ad39bd74838025a40427f44865cfe8a25265
2019-06-27 12:17:48 +03:00
Marek Nečada 1cbfb982d4 Replace PGEN_NEWR flag with PGEN_OLD_R with the opposite meaning.
Former-commit-id: 5fef7e81addc980a7202b55fd52152981abe5cba
2019-06-27 12:15:34 +03:00
Marek Nečada 2560366137 Lattice generator coordinate system fallback mode.
Former-commit-id: dc34ddc5b45fd3dc3220b7890e95bbb6c075ec6e
2019-06-27 11:40:09 +03:00
Marek Nečada 22a76ec7ec PGen "fetch" methods: generate multiple points at once
Former-commit-id: f53d71ef88f53ed4db0d127b7edad1ebcb0e766d
2019-06-27 10:13:39 +03:00
Marek Nečada 5a5f124f6b Doxygen docs for the lattice generators.
Former-commit-id: eb3a5149a7f3fac70e5bf882642690ef31e1d6e4
2019-06-25 20:05:31 +03:00
Marek Nečada cac8ee4dfd Update forgotten struct name
Former-commit-id: 77c8dcb871ccb11a37be416a0f3bf19b2ee65abb
2018-12-25 23:50:39 +02:00
Marek Nečada 3972f0a2e3 ewald.c fix new init memory management.
Former-commit-id: 582e34027bad4bd1ee017886d3dc2120a8c0bf3c
2018-12-11 11:09:38 +00:00
Marek Nečada f3e1e70b62 l2d unit cell area calculation
Former-commit-id: e714f4fb33669138cb45179f323893b3e996fd78
2018-12-11 06:51:23 +00:00
Marek Nečada 105cf3e993 C lattices: Implement 2D reciprocal basis calculation. Untested.
Former-commit-id: dcea1aead71341bb5e46457ce9b22abfc8b43800
2018-12-10 18:15:37 +02:00
Marek Nečada 490e6491d0 Generic ("any coordinate system") union point type
Former-commit-id: 3ee7def1bed539161ceaf42ecf392871a4cfcdea
2018-12-10 17:10:47 +02:00
Marek Nečada 38a26d074b xyWeb lattice generator, untested
Former-commit-id: 23ebe13392f30118d6bc090ca285c8de3b2a4a53
2018-12-07 09:55:45 +00:00
Marek Nečada 1b24794baa Refactoring lattice generator API (dimensionality generalisation)
Former-commit-id: 3eb6623ed298bf1e2a458d15c237e83b3b3cf70d
2018-12-06 22:30:34 +00:00
Marek Nečada 530270b5af lattices2d.c implement finding the "base vector hexagon" inscribed sphere radius
Former-commit-id: 075a19b07a8066d31378990470a90c4a7e8689ce
2018-12-06 20:42:11 +00:00
Marek Nečada a06ac73663 Práce na generátorech mřížek... Dudom.
Former-commit-id: 55eeba3d3325e668ba5da3d1b556eeae406fb687
2018-11-30 16:59:12 +02:00
Marek Nečada 6b88106cce Lattice generator tests.
... there are bugs to be fixed


Former-commit-id: 2437fc3c1dd76ba5bbe83d082b036758c5ba8ba7
2018-11-29 15:59:45 +02:00
Marek Nečada a300ac9e0f Lattice gen z-axis done, untested
Former-commit-id: 2b37429596400291b7ce8452fc12c1b9e33ee4c3
2018-11-29 15:26:26 +02:00
Marek Nečada b90bf2875b Práce na 1D ewaldovi; du dom.
Former-commit-id: dbecec91884dd005a2001c71d4bbe50de74fc8d0
2018-11-22 16:49:37 +02:00
Marek Nečada 11f380170a Half-implemented the general short-range part of ewald sum in 3D,
unchecked, untested, dudom.


Former-commit-id: b3551114b8c7136e378feb6dc78cb575a5bfc162
2018-11-21 19:49:07 +02:00
Marek Nečada c00855a1e6 dudom
Former-commit-id: 9584e40968c45c3acc25e90b51d28a1bb28b8f0c
2018-11-14 18:36:15 +02:00
Marek Nečada c3a89b24ad Abstract lattice point generators
Former-commit-id: 7c2d5d2a94f2888150ea2bad79d4e287a3323061
2018-11-14 15:15:17 +02:00
Marek Nečada 2a5dcd3230 Start implementing the nice functions from lattices.h
Former-commit-id: 4f00c873044ef941e09ccfb5739b35e2a81f01f6
2018-10-11 10:33:53 +03:00
Marek Nečada b707f65d83 Ewald sum first test compiles
Former-commit-id: bb63ffdade407900478c26f2e10bc0ee8efb5154
2018-09-05 18:50:02 +00:00
Marek Nečada e84483b2e8 A stupid shift function for points2d_rordered_t
Former-commit-id: bbba5408081965d8550d78fed5b7569c5cff95b8
2018-08-26 19:36:45 +00:00
Marek Nečada 60e1490d74 "Annulus view" for points2d_rordered_t;
+prototypes for functions inspired by lattices2d.py (not implemented)


Former-commit-id: da46b26573e3fd23b3cb3e8a0fe20c6bc3dff3e6
2018-08-26 16:30:47 +00:00
Marek Nečada cddedad752 hexagonal lattice generator (gives correct results,
but valgrind issues some warnings).


Former-commit-id: ea5ced6206d1a75dccb5e72ebb4775ca3d77bfc3
2018-08-25 12:13:10 +03:00
Marek Nečada 91523005fb Shifted triangular lattices
Former-commit-id: 5d37f291890930d0b3ed6cbcec16ec6eba6077c6
2018-08-25 01:13:27 +03:00
Marek Nečada 883926daac Triang lattice generation fixes; now finally working
Former-commit-id: 27a609231d8a262ebbf93e68f400c664480f5f06
2018-08-24 10:54:49 +03:00
Marek Nečada e6217bd363 Triangular lattice generator
Former-commit-id: b3b2bdafacb2cc91b1ebb28ed48b1549451e528a
2018-08-23 14:18:27 +03:00
Marek Nečada ec7edda67e Unfinished generation of equilateral triangular lattices (dudom).
Former-commit-id: 4cc4da2e9755c279aba0d14c296f76de2cbebd04
2018-08-22 17:14:07 +03:00