Commit Graph

393 Commits

Author SHA1 Message Date
0d5a893b95 davidson.h - handled zero remainder vector in orthogonalization 2022-06-22 21:03:20 +02:00
2bdfe1bd70 removed debug print 2022-06-22 20:23:17 +02:00
631ec298f5 added some convenience functions for bitvector 2022-06-22 19:41:25 +02:00
2621f444e1 fixed bug in nrvec::concatme 2022-06-21 17:33:16 +02:00
e8641c2833 vec.h added optional parameters to NRVec::norm() 2022-06-15 14:42:19 +02:00
486dae31f4 renamed local nextpow2 2022-06-11 21:57:56 +02:00
23d70d3808 NRVec sorting moved to .h to be available for newly derived non-plain data types 2022-06-09 21:36:42 +02:00
3a163ae81f ContFrac constructor from list 2022-06-09 20:55:10 +02:00
2ff6ded164 NRVec from list constructor made explicit 2022-06-09 20:51:09 +02:00
40dadb63e8 change in traits.h for compatibility with NRVec as quantum register 2022-06-09 14:50:31 +02:00
e396a8ccd9 NRVec concatme and append 2022-06-09 13:56:42 +02:00
12585b0bd3 complex davidson - compilable but not tested yet 2022-06-08 21:22:01 +02:00
3ea56da8d5 another text example added in t.cc 2022-03-16 15:19:30 +01:00
6c5f0eb68e finished ContFrac implementation 2022-02-22 15:46:07 +01:00
a032344c66 ContFrac arithmetics 2022-02-21 16:45:44 +01:00
b4aaa77da4 working on contfrac 2022-02-19 19:10:24 +01:00
e67e6a5797 progressing on contfrac 2022-02-18 20:55:37 +01:00
0e8c20770f NRVec from std::list 2022-02-18 19:03:19 +01:00
10985a146b basic routines for ContFrac 2022-02-18 16:10:31 +01:00
5544ea4ee7 a simple class for continued fractions introduced 2022-02-17 18:03:47 +01:00
c6356c0c76 test of permuted_rows 2022-02-03 11:04:55 +01:00
ee21da1311 simple fit weight scaling 2021-11-22 23:06:22 +01:00
999093c7dd simple_fit.operator[] 2021-11-22 17:06:48 +01:00
78efe19873 simple.h ... avoiding warnign on unitnitialized irow and icol 2021-11-22 17:00:04 +01:00
c4eca1b991 vec3 elementwise_product 2021-11-22 16:38:03 +01:00
0c4c701867 little improvement in simple_fit 2021-11-22 14:45:06 +01:00
c45e3cc40c simple_linfit implemented 2021-11-22 14:22:19 +01:00
060163d4c4 simple.h and simple.cc for algorithms independent on external libraries 2021-11-21 22:22:01 +01:00
0b3a6c5473 gauss elimination for vecmat3 2021-11-21 00:08:09 +01:00
30f4d29d82 eigensolver for symmetric Mat3 2021-11-20 22:14:40 +01:00
4e08955ed5 _LA_count_check not const 2021-11-13 19:06:05 +01:00
b1fea2f1c2 diffabs return normtype entity, elementwise abs() implemented 2021-11-13 19:00:46 +01:00
f5d1a13a18 NRPerm::reverse 2021-11-09 13:19:24 +01:00
6715260da7 allow trivial copyonwrite() on empty vec/mat/... 2021-11-04 14:21:13 +01:00
9c6ab037cf contructors from braced list for permutations and polynomials 2021-10-28 20:44:05 +02:00
d96531f340 added tests for plain data in constructors of vec mat smat 2021-10-28 20:17:32 +02:00
b50f9b36b1 Initialization of Vec3, MAt3, and Quaternion from brace-enclosed list 2021-10-28 18:14:07 +02:00
b7d3a5d977 vector and matrix contructors from arrays of arbirary size via nested templates 2021-10-27 23:24:41 +02:00
e0b4738b17 la_traits export SCALAR macro 2021-10-22 15:21:00 +02:00
1bfb548835 NRVec concatenation implemented 2021-10-22 13:28:13 +02:00
d1a43830fc release 1.2 2021-10-07 16:22:17 +02:00
54bbdd0054 fix of quaternion.cc for older compiler compatibility 2021-10-07 14:13:41 +02:00
87d560beb2 vecmat3.cc compatibility fix 2021-10-07 14:10:22 +02:00
8079bd8820 vecmat3.cc fix for older compiler compatibility 2021-10-07 14:07:21 +02:00
4a08475527 tiny fix in vec.h for older compiler compatibility 2021-10-07 13:57:19 +02:00
ef1d3c3e3d implementation of value of odd and even polynomials 2021-10-05 22:30:06 +02:00
4c420b1e9b polynomial odd and even powers separation 2021-10-05 17:33:30 +02:00
59f3bb9eea implemented Hermite polynomials 2021-10-05 17:15:47 +02:00
7aae1df938 added symmetry declaration for complex 2-el integrals to fourindex.h 2021-09-30 14:55:26 +02:00
0137e972fe printout of misc info in laerror 2021-09-27 10:49:19 +02:00