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05/05/2009: Can generate separate evaluators for each integral type in the G12 set, for now assuming no support
for [T,G12] integrals).
-EFV
03/22/2009: Updated contact info.
-EFV
03/15/2009: Added support for generic VRR code supporting ORCA.
-EFV
02/25/2009: Added support for ORCA ordering and ORCA conventions for shell quartet sets.
-EFV
05/25/2007: Added generic VRR codes for ERI and G12 integrals. This helps to reduce dramatically the size of generated code.
Use --enable-generic-code configure flag.
-EFV
01/28/2007: Added G12DKH capability.
-EFV
12/05/2007: Upgraded to libtool-1.5.24, which works on Darwin/gcc.
-EFV
06/03/2007: Upgraded to libtool-1.5.23b.
-EFV
05/14/2007: Added configure option '--disable-t1g12-support' to turn off support for [T1,G12] integrals.
-EFV
05/10/2007: Fixed serious bug: DirectedGraph needs to use a Sequence container to hold target references.
-EFV
05/06/2007: Use HRR to compute integral over [T_i,G12].
-EFV
05/05/2007: 1) First take on computing integrals over exp(-a(r1+r2)-g(r12)).
2) Updated test.
3) Treat geng12 as an independent task. Task management much improved, especially in CompilationParameters.
4) Fixed a bug in VRR_11_R12kG12_11.
-EFV
05/03/2007: 1) Built in many services needed by RecurrenceRelation's derived classes into the base class.
2) Introduced operators r_1 . r_1 * G12 and r_1 . r_2 * G12 and their integrals.
3) Updated test.
-EFV
05/02/2007: Fixed a few bugs which affected build_libint (not test_eri...).
-EFV
04/30/2007: 1) DirectedGraph::apply_to can check whether outgoing arcs exist to avoid further work.
This should speed up graph generation significantly.
2) DirectedGraph::find_subtrees should use hints to avoid doing pointless work.
3) Changed storage of arcs in DGVertex to more efficient std::list + remove/turn-off unnecessary
safety checks.
-EFV
04/27-29/2007: 1) Plugged memory leaks from ArrayBraket::member_subiter().
2) RecurrenceRelation::generate_code() can determine whether to use CSE.
-EFV
04/26/2007: Converted DirectedGraph to use std::multimap. Many improvements to speed-up DirectedGraph remain, but this
is the first major step.
-EFV
04/25/2007: 1) Converted DirectedGraph to use std::list.
2) Removed the need to use template class with default arguments as a template template parameter
(gcc 4.3 does not support this).
-EFV
04/24/2007: 1) Removed all use of exceptions in normal workflow except for CannotPerformOperation
thrown when cleaning up. Removed all exception specifications except in exception classes
derived from standard exceptions.
2) GenIntegralSet::Instance() and analogs precompute the key to avoid constructing
dummy integrals.
3) R12kG12_11_11 and TiG12_11_11 use integers to hash.
4) configure now checks for boost::shared_ptr<T>.
-EFV
01/31/2007: Libint evaluators which included support for G12 integrals had a bug -- # of targets was not
set properly.
-EFV
01/22/2007: There are 2 ways to generate integral evaluator types: single type for all tasks, or
task-specific types. Currently Libint will only generate the single type, although the
second mode should be easy to implement.
-EFV
11/03/2006: 1) Each non-default symbol in the evaluator type also has a macro
which can be checked in the code which computes quartet info.
2) Updated test_eri/
-EFV
11/01/2006: 1) All header files are now generated automatically, including integral evluator types.
2) Documentation almost fully updated.
-EFV
07/19/2006: 1) Added code to simplify testing of the compiler. Rewrote generate_eri_code using
the new facilities.
2) Added profiling tests.
-EFV
07/18/2006: Strategy for non-ERI classes did not correctly handle unrolling. -EFV
07/11/2006: Can choose cartesian shell orderings using configure option
--with-cgshell-ordering.
-EFV
07/11/2006: All API names can now be prefixed with the string specified with --with-api-prefix
configure option.
-EFV
07/05/2006: Created a standard set of tests for most combinations of code generation
features (vectorization, etc.)
-EFV
07/04/2006: 1) Added --with-api-prefix and --enable-accum-ints configure options (the latter
doesn't work yet).
2) libint2_init_XXX, libint2_need_memory_XXX, and libint2_cleanup_XXX functions
manage allocation of stack. libint2_init_XXX takes an optional external buffer
as an argument.
3) libint2_cleanup.cc is not longer produced -- its contents are in libint2_init.cc
-EFV
03/01/2006: 1) test_eri.pl can generate code with or without CSE
2) correct FLOP counts are produced even for the condensed code
-EFV
02/28/2006: Added ability to condense multiple statements into one, provided
that no reusable quantities appear. The current version generates
correct code, but FLOP counts are not correct
and the degree of "condensation" is not adjustable yet.
This development is important
for generating efficient linewise vectorized code.
-EFV
02/18-26/2006: 1) with-vector-method configure option specifies how to vectorize.
2) linewise-vectorized set-level RR codes were not correct. Such
functions now use special stack to keep intermediates.
-EFV
02/18/2006: 1) eri-opt-am and g12-opt-am are properly taken into account.
introduced GraphRegistry to do that.
2) vector length can be set via configure script.
-EFV
02/16/2006: Library can now be exported. Do 'make export'. This creates a .tgz
file in the top object directory. -EFV
02/15/2006: 1) Added --enable-flop-counter configure option
2) --with-float-type option now has the advertised effect
3) Added --with-eri-strategy configure option
4) Added API elements to configure Libint2-MPQC interface
-EFV
02/14/2006: 1) GenIntegralSet computes size directly instead of using SubIterator.
This reduces dramatically the memory requirements.
2) Remove RR from RRStack when generating code. This frees up a ton
of memory too.
Now ERI code can be generated for up to i-functions in a few
hundred megs of RAM.
-EFV
02/14/2006: Revamped configure.in for version 2 production. Minor fixes
all over the place. Updated installation manual. -EFV
02/14/2006: Removed libderiv and libr12 sources. -EFV
11/30/2005: Added installation manual. -EFV
11/29/2005: Class documentation is installed correctly now. -EFV
11/28/2005: Test if cxx and cxxgen allow templates with default parameters to match template
template parameters with fewer arguments. libint2::Policy requires
such an extension (e.g. gcc-3.4). -EFV
11/28/2005: Added cxxgen options to configure. Timing code is now compiled
using cxxgen. -EFV
11/27-28/2005: Updated configure.in for autoconf 2.57. -EFV
11/27/2005: Upgraded to libtool-1.5.20. -EFV
11/27/2005: Started updates-libint2 file. -EFV