 Jiri Pittner
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23d70d3808
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NRVec sorting moved to .h to be available for newly derived non-plain data types
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2022-06-09 21:36:42 +02:00 |
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Jiri Pittner
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3a163ae81f
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ContFrac constructor from list
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2022-06-09 20:55:10 +02:00 |
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Jiri Pittner
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2ff6ded164
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NRVec from list constructor made explicit
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2022-06-09 20:51:09 +02:00 |
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Jiri Pittner
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40dadb63e8
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change in traits.h for compatibility with NRVec as quantum register
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2022-06-09 14:50:31 +02:00 |
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Jiri Pittner
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e396a8ccd9
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NRVec concatme and append
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2022-06-09 13:56:42 +02:00 |
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Jiri Pittner
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12585b0bd3
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complex davidson - compilable but not tested yet
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2022-06-08 21:22:01 +02:00 |
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Jiri Pittner
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3ea56da8d5
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another text example added in t.cc
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2022-03-16 15:19:30 +01:00 |
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Jiri Pittner
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6c5f0eb68e
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finished ContFrac implementation
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2022-02-22 15:46:07 +01:00 |
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Jiri Pittner
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a032344c66
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ContFrac arithmetics
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2022-02-21 16:45:44 +01:00 |
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Jiri Pittner
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b4aaa77da4
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working on contfrac
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2022-02-19 19:10:24 +01:00 |
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Jiri Pittner
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e67e6a5797
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progressing on contfrac
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2022-02-18 20:55:37 +01:00 |
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Jiri Pittner
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0e8c20770f
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NRVec from std::list
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2022-02-18 19:03:19 +01:00 |
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Jiri Pittner
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10985a146b
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basic routines for ContFrac
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2022-02-18 16:10:31 +01:00 |
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Jiri Pittner
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5544ea4ee7
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a simple class for continued fractions introduced
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2022-02-17 18:03:47 +01:00 |
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Jiri Pittner
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c6356c0c76
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test of permuted_rows
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2022-02-03 11:04:55 +01:00 |
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Jiri Pittner
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ee21da1311
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simple fit weight scaling
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2021-11-22 23:06:22 +01:00 |
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Jiri Pittner
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999093c7dd
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simple_fit.operator[]
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2021-11-22 17:06:48 +01:00 |
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Jiri Pittner
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78efe19873
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simple.h ... avoiding warnign on unitnitialized irow and icol
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2021-11-22 17:00:04 +01:00 |
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Jiri Pittner
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c4eca1b991
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vec3 elementwise_product
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2021-11-22 16:38:03 +01:00 |
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Jiri Pittner
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0c4c701867
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little improvement in simple_fit
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2021-11-22 14:45:06 +01:00 |
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Jiri Pittner
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c45e3cc40c
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simple_linfit implemented
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2021-11-22 14:22:19 +01:00 |
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Jiri Pittner
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060163d4c4
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simple.h and simple.cc for algorithms independent on external libraries
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2021-11-21 22:22:01 +01:00 |
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Jiri Pittner
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0b3a6c5473
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gauss elimination for vecmat3
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2021-11-21 00:08:09 +01:00 |
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Jiri Pittner
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30f4d29d82
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eigensolver for symmetric Mat3
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2021-11-20 22:14:40 +01:00 |
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Jiri Pittner
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4e08955ed5
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_LA_count_check not const
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2021-11-13 19:06:05 +01:00 |
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Jiri Pittner
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b1fea2f1c2
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diffabs return normtype entity, elementwise abs() implemented
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2021-11-13 19:00:46 +01:00 |
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Jiri Pittner
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f5d1a13a18
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NRPerm::reverse
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2021-11-09 13:19:24 +01:00 |
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Jiri Pittner
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6715260da7
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allow trivial copyonwrite() on empty vec/mat/...
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2021-11-04 14:21:13 +01:00 |
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Jiri Pittner
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9c6ab037cf
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contructors from braced list for permutations and polynomials
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2021-10-28 20:44:05 +02:00 |
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Jiri Pittner
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d96531f340
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added tests for plain data in constructors of vec mat smat
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2021-10-28 20:17:32 +02:00 |
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Jiri Pittner
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b50f9b36b1
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Initialization of Vec3, MAt3, and Quaternion from brace-enclosed list
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2021-10-28 18:14:07 +02:00 |
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Jiri Pittner
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b7d3a5d977
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vector and matrix contructors from arrays of arbirary size via nested templates
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2021-10-27 23:24:41 +02:00 |
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Jiri Pittner
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e0b4738b17
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la_traits export SCALAR macro
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2021-10-22 15:21:00 +02:00 |
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Jiri Pittner
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1bfb548835
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NRVec concatenation implemented
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2021-10-22 13:28:13 +02:00 |
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Jiri Pittner
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d1a43830fc
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release 1.2
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2021-10-07 16:22:17 +02:00 |
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Jiri Pittner
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54bbdd0054
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fix of quaternion.cc for older compiler compatibility
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2021-10-07 14:13:41 +02:00 |
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Jiri Pittner
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87d560beb2
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vecmat3.cc compatibility fix
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2021-10-07 14:10:22 +02:00 |
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Jiri Pittner
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8079bd8820
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vecmat3.cc fix for older compiler compatibility
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2021-10-07 14:07:21 +02:00 |
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Jiri Pittner
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4a08475527
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tiny fix in vec.h for older compiler compatibility
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2021-10-07 13:57:19 +02:00 |
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Jiri Pittner
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ef1d3c3e3d
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implementation of value of odd and even polynomials
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2021-10-05 22:30:06 +02:00 |
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Jiri Pittner
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4c420b1e9b
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polynomial odd and even powers separation
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2021-10-05 17:33:30 +02:00 |
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Jiri Pittner
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59f3bb9eea
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implemented Hermite polynomials
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2021-10-05 17:15:47 +02:00 |
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Jiri Pittner
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7aae1df938
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added symmetry declaration for complex 2-el integrals to fourindex.h
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2021-09-30 14:55:26 +02:00 |
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Jiri Pittner
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0137e972fe
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printout of misc info in laerror
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2021-09-27 10:49:19 +02:00 |
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Jiri Pittner
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c1f3b1ec98
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improved diagnostics in laerror - command line
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2021-09-25 05:39:55 +02:00 |
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Jiri Pittner
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5b3dced5bb
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bugfix in putext() in fourindex.h
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2021-09-24 17:32:20 +02:00 |
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Jiri Pittner
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ede670e719
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tiny fix in bitvector
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2021-09-24 16:12:07 +02:00 |
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Jiri Pittner
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7f84abb541
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removed dependence on libtraceback
implemented our own traceback after error by attaching gdb
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2021-09-22 18:12:40 +02:00 |
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Jiri Pittner
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256de57333
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bitvector_from1 implementation
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2021-09-21 15:38:12 +02:00 |
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Jiri Pittner
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5667fae364
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some attempts for structure packing under GNU C++
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2021-08-28 17:05:54 +02:00 |