QPMS
/
qpms
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

Commit Graph

  • e66b8468f9 Use factorial from scipy.special Marek Nečada 2019-06-05 14:01:28 +0300
  • c29c25f8a2 Paper outline update Marek Nečada 2019-05-13 17:34:50 +0300
  • cfa7a12ee3 Paper outline Marek Nečada 2019-05-09 08:41:32 +0300
  • 066ac4366b Move riifno2c.py draft from root directory. Marek Nečada 2019-04-05 10:25:18 +0300
  • fa803573f0 Update Triton-troubleshooting.md Marek Nečada 2019-04-05 08:34:42 +0300
  • bf04cb32c0 Fix some earlier ewald32->ewald3 renames; disable some legacy code. Marek Nečada 2019-04-03 16:41:10 +0300
  • 4212720560 Some docs to get qpms properly running on Triton. Needs an independent tester. Marek Nečada 2019-04-02 17:46:06 +0000
  • c0b2343b89 Try whether Triton behaves better if the parallelized code uses no OpenBLAS. Marek Nečada 2019-03-29 13:17:28 +0200
  • 652ab6f3ba Debug message types Marek Nečada 2019-03-27 09:03:24 +0200
  • eddb8558d8 Fix argument type. Marek Nečada 2019-03-26 15:23:17 +0200
  • 38bd16f94a Merge branch 'master' of necada.org:~/repo/qpms Marek Nečada 2019-03-26 13:37:16 +0200
  • 9b50196ae6 AaroBEC scripts touch files indicating finished job. Marek Nečada 2019-03-26 13:35:30 +0200
  • 2ab4c55e13 Some control over the launched threads in scatsystem. Marek Nečada 2019-03-26 11:33:22 +0000
  • f23edf0d71 Default number of threads in scatsystem.c set to 4, debug messages. Marek Nečada 2019-03-26 11:54:07 +0200
  • 5b49dfc8d0 Mie rect lattice script updates Marek Nečada 2019-03-25 20:31:40 +0200
  • 89df52061d Fixes in the new finite rectangular lattice / Mie particle script Marek Nečada 2019-03-25 15:33:14 +0200
  • 4f4d340f0e Spherical particle version of the finite rectangular lattice script. Marek Nečada 2019-03-24 23:58:32 +0000
  • f04ea1d600 Refractive index database into C incomplete draft. Marek Nečada 2019-03-24 20:19:55 +0200
  • f04fd9496e Additional functionality to Cython wrappers. Marek Nečada 2019-03-24 19:30:33 +0200
  • 8683c69c0e Cython wrapper over qpms_permittivity_interpolator_t. Marek Nečada 2019-03-24 14:47:42 +0000
  • d7a64f5928 Reimplementation of qpms_permittivity_interpolator_t. Marek Nečada 2019-03-24 14:28:09 +0000
  • 115d1d07fe Material data interpolator + Mie T-matrix convenience functions. Marek Nečada 2019-03-20 23:19:29 +0200
  • eafd1609a5 Using d1mach.f, i1mach.f copied from scipy/scipy/special/mach/. Marek Nečada 2019-03-20 20:52:10 +0200
  • 6ee4518bb1 Complex Bessel functions using amos. Marek Nečada 2019-03-20 20:46:47 +0200
  • 959bb09526 More CMakeLists.txt additions. Marek Nečada 2019-03-20 14:13:41 +0200
  • 522a6d9b85 Replace original netlib amos routines with those in scipy. Marek Nečada 2019-03-20 12:25:42 +0200
  • e6e7485ebb Futile attempts with cmake + fortran Marek Nečada 2019-03-20 09:28:47 +0000
  • 94259e766b Add AMOS routines from netlib Marek Nečada 2019-03-19 14:42:47 +0000
  • 31bab5225f Initial CMakeLists.txt Marek Nečada 2019-03-19 14:33:44 +0000
  • 4475cffeba C Mie T-matrices but demand yet Bessel functions of complex arguments. Marek Nečada 2019-03-18 17:54:32 +0200
  • 2af9b83e35 Move T-matrix -related C code to scatsystem.[ch] Marek Nečada 2019-03-18 15:04:21 +0200
  • 791a46b446 Fix M, N reordering in python T-matrix loader. Marek Nečada 2019-03-18 09:35:10 +0200
  • 98da54946c Parallel mode problem matrix creation. Marek Nečada 2019-03-18 01:06:04 +0000
  • 86b87c955c Fix the alternative order modematrix implementation Marek Nečada 2019-03-17 23:32:51 +0000
  • 7db7123c91 Alternative implementation of irrep packed modeproblem matrix. Marek Nečada 2019-03-17 21:49:10 +0000
  • 96a6fdf7fa Scatsystem metadata to iterate the particles in the orbit-layout order. Marek Nečada 2019-03-17 16:46:22 +0000
  • 3e94b1baec The quaternions were apparently correct after all (except for the ordering of conjugation in vector rotation). Marek Nečada 2019-03-15 21:14:59 +0000
  • 97f87202e1 Fix lowest SV index finding Marek Nečada 2019-03-14 01:34:04 +0200
  • ea0b6fb402 Rectangular lattice SVD computation script for the new paper. Marek Nečada 2019-03-13 23:44:12 +0200
  • 7ef8e764c7 Deterministic ordering of irreps in generated C structures Marek Nečada 2019-03-13 23:13:41 +0200
  • 51d38798c3 Some useful ScatteringSystem class functionality. Marek Nečada 2019-03-13 22:35:35 +0200
  • 40caf44a24 Remove unused variables Marek Nečada 2019-03-13 18:15:30 +0200
  • 412d520e13 "Direct" generation of irrep-packed mode problem matrices. Marek Nečada 2019-03-13 18:13:59 +0200
  • a6dcd35b8d Revert setup.py to standard blas names and increment version. Marek Nečada 2019-03-13 16:23:23 +0200
  • 3f32b21730 Merge branch 'fixprojs' Marek Nečada 2019-03-13 16:21:45 +0200
  • 12da9f3b5a Various tests and macro conditions. Marek Nečada 2019-03-13 16:18:47 +0200
  • ddfd4954dc Fix complex conjugation; now all available point groups seem to work. Marek Nečada 2019-03-13 15:59:05 +0200
  • 07aed6feb7 Fix offset increment in matrix packing. Marek Nečada 2019-03-13 13:24:44 +0200
  • d11db980f9 A slow but working reference implementation of matrix (un)packing. Marek Nečada 2019-03-13 12:28:40 +0200
  • cc61a64313 Dump parts of the full matrix. Marek Nečada 2019-03-13 11:36:52 +0200
  • aee4d2db2a sss3 dump packed matrices Marek Nečada 2019-03-13 11:24:09 +0200
  • 6f219b2c84 Dump orbit projection matrices in sss3.c Marek Nečada 2019-03-13 08:57:23 +0000
  • 8cba539684 Tenhle případ rozbíjí rozborku sborku na diagonále. Marek Nečada 2019-03-12 23:03:26 +0200
  • 02ec8804d0 Fix quaternion conjugation order on vector rotation. Marek Nečada 2019-03-12 22:22:02 +0200
  • 208e05d811 Macro-driven sss2.c test Marek Nečada 2019-03-12 21:47:01 +0200
  • 6f66ddc845 Additional symmetries Marek Nečada 2019-03-12 21:22:31 +0200
  • a2e61ad67a Particle position dump Marek Nečada 2019-03-12 18:32:38 +0200
  • 9a592b4682 Test with more particles; Marek Nečada 2019-03-12 17:17:49 +0200
  • 37d022e6d0 Fix offset incrementation on the diagonal. Marek Nečada 2019-03-12 15:43:28 +0200
  • 8efd582daf Fix offset incrementation on the diagonal. Marek Nečada 2019-03-12 15:43:28 +0200
  • b97f3e6e2e Dump the whole translation matrix... Marek Nečada 2019-03-12 15:07:04 +0200
  • b51b3bd7d0 Merge branch 'master' into fixprojs Marek Nečada 2019-03-12 13:11:22 +0200
  • 1033daf52e Fix lMax_L in qpms_vswf_set_spec_from_lMax(). Marek Nečada 2019-03-12 13:08:30 +0200
  • d63dd2cae2 Fix projections - work in progress Marek Nečada 2019-03-12 07:01:10 +0000
  • 431c8b9933 Fix orbit building Marek Nečada 2019-03-11 22:46:16 +0000
  • 04a181ae9b Fix quaternion-based rotation. Marek Nečada 2019-03-11 21:04:39 +0000
  • 7126bb9584 Test quaternion rotations. Marek Nečada 2019-03-11 19:29:46 +0000
  • 99db225b02 Debug dump projectors and action matrices. Marek Nečada 2019-03-11 12:11:19 +0000
  • 297995690a Handling of zero packed orbit sizes. Marek Nečada 2019-03-10 16:53:01 +0000
  • f30c5a88d9 Fix T-matrix duplicity remapping Marek Nečada 2019-03-10 15:14:50 +0000
  • 20af81440f Fixes in vswf spec. Marek Nečada 2019-03-10 13:45:46 +0000
  • 53109e6d92 Fix realloc pointer shifts Marek Nečada 2019-03-10 12:43:35 +0000
  • 341b28f7a8 scatsystem test in C Marek Nečada 2019-03-10 06:28:32 +0000
  • a4a3751cab Generated groups for use in C Marek Nečada 2019-03-10 05:29:29 +0000
  • a51236e058 Fix a memcpy size, new crashing realloc macro. Marek Nečada 2019-03-09 18:47:05 +0000
  • cce4f15eac some tests and calculate the translation matrix separately; still not working Marek Nečada 2019-03-09 12:29:43 +0000
  • e265c01760 Scatsys full mode problem matrix; wrong result. Marek Nečada 2019-03-09 10:55:46 +0000
  • c2bdb09f7d Translation coefficients with uvswfi Marek Nečada 2019-03-09 07:36:09 +0000
  • fb706b07ae Convenience function to create the 'usual' bspecs. Marek Nečada 2019-03-09 00:33:19 +0000
  • 4dfb358de6 Matrix symmetry-adapted base packing/unpacking fixed. Marek Nečada 2019-03-09 00:15:48 +0000
  • 5f3759bdb3 ss matrix projections and unpacking (Broken) Marek Nečada 2019-03-08 13:39:37 +0000
  • fd13756b86 ss vector packing and unpacking fixed and cython-wrapped. Marek Nečada 2019-03-08 11:10:01 +0000
  • 50581dcf7e Matrix symmetry adapted base packing and unpacking (untested). Marek Nečada 2019-03-08 08:53:59 +0000
  • 52b69fb00b Scatsystem matrix packing unfinished Marek Nečada 2019-03-07 13:08:11 +0200
  • 519e60a501 Scatsystem: excitation coefficient vector irrep packing and unpacking. Marek Nečada 2019-03-07 12:15:46 +0200
  • 0053eeb953 Numbering the orbits of the same type. Marek Nečada 2019-03-07 07:42:49 +0000
  • a4b0022305 scatsystem.h new prototype drafts and misc. Marek Nečada 2019-03-07 07:10:43 +0000
  • 0fb36f1e4c Group generation made deterministic. Marek Nečada 2019-03-07 05:09:44 +0000
  • 1d77d76b80 scatsys orbit base generator Marek Nečada 2019-03-07 04:46:19 +0000
  • d07d37c5af Symmetrisation of the interpolated T-matrix Marek Nečada 2019-03-06 21:58:50 +0000
  • 04923d0b45 T-matrix reading function fix wrong nesting & other fixes. Marek Nečada 2019-03-06 21:05:52 +0000
  • 48758c42d6 cython wrapper for C T-matrix interpolator. Marek Nečada 2019-03-06 20:15:27 +0000
  • a339af5c09 Roundoff error cleaning for zeros. Marek Nečada 2019-03-06 17:50:11 +0000
  • d2f124ab12 Symmetrisation of tmdata. Marek Nečada 2019-03-06 17:32:46 +0000
  • d5652b126e Provisional error messages at tmatrix_io.c Marek Nečada 2019-03-06 05:53:58 +0000
  • c86376d435 Provisional error messages with abort(). Marek Nečada 2019-03-05 19:27:01 +0000
  • 12e0188c6d C function to read scuff t-matrices. Marek Nečada 2019-03-05 16:11:15 +0000
  • efba713d2c Per-orbit irrep projectors. Marek Nečada 2019-03-03 23:35:06 +0000
  • fb29736936 Per-orbit Wigner matrix representation of a group action. Marek Nečada 2019-03-03 22:57:54 +0000
  • b55c0bd8fa Extend the role of qpms_ss_orbit_type_t::action. Marek Nečada 2019-03-03 22:38:00 +0000