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Comparing trunk/OOPSE/ChangeLog (file contents):
Revision 1005 by tim, Tue Feb 3 15:21:32 2004 UTC vs.
Revision 1074 by tim, Mon Mar 1 20:01:50 2004 UTC

# Line 1 | Line 1
1 + 2004-02-24 11:36  tim
2 +
3 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
4 +        libmdtools/PRCG.cpp, libmdtools/SimSetup.cpp, src/oose.cpp: [no log
5 +        message]
6 +
7 + 2004-02-24 10:49  tim
8 +
9 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
10 +        Constraint.cpp, Constraint.hpp, ConstraintList.cpp,
11 +        ConstraintList.hpp, Minimizer.hpp, Minimizer1D.cpp,
12 +        Minimizer1D.hpp, MinimizerBase.hpp, NLModel.hpp, NLModel0.cpp,
13 +        NLModel1.cpp, NonlinearCons.cpp, NonlinearCons.hpp,
14 +        OOPSEMinimizerBase.cpp, SteepestDescent.cpp, SteepestDescent.hpp,
15 +        SymMatrix.hpp: remove the old implement of minimizer from cvs tree
16 +
17 + 2004-02-24 10:44  tim
18 +
19 +        * libmdtools/: CGFamilyMinimizer.cpp, ConjugateMinimizer.cpp,
20 +        Integrator.hpp, Makefile.in, Minimizer1D.cpp,
21 +        MinimizerParameterSet.hpp, OOPSEMinimizer.cpp, OOPSEMinimizer.hpp,
22 +        OOPSEMinimizerBase.cpp, PRCG.cpp, SDMinimizer.cpp, SimInfo.hpp,
23 +        SimSetup.cpp, Utility.cpp, Utility.hpp: Using inherit instead of
24 +        compose to implement Minimizer both versions are working
25 +
26 + 2004-02-17 14:23  tim
27 +
28 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
29 +        libmdtools/Integrator.cpp, libmdtools/Integrator.hpp,
30 +        libmdtools/Minimizer1D.cpp, libmdtools/Minimizer1D.hpp,
31 +        libmdtools/MinimizerParameterSet.hpp,
32 +        libmdtools/OOPSEMinimizerBase.cpp: adding function shakeF in order
33 +        to remove the constraint force along bond direction
34 +
35 + 2004-02-10 16:33  tim
36 +
37 +        * ChangeLog, libmdtools/ConjugateMinimizer.cpp,
38 +        libmdtools/DirectionalAtom.cpp, libmdtools/OOPSEMinimizerBase.cpp:
39 +        single version of energy minimization is working.
40 +
41 + 2004-02-09 15:38  mmeineke
42 +
43 +        * staticProps/: AllCorr.cpp, staticProps.cpp:  started a bug fix on
44 +        the massive memory overusage by OOPSE
45 +
46 + 2004-02-09 09:48  chrisfen
47 +
48 +        * libmdtools/: SimSetup.cpp, calc_LJ_FF.F90: Stripped out the
49 +        hardwired LJ_rcut
50 +
51 + 2004-02-06 19:14  tim
52 +
53 +        * libmdtools/: SymMatrix.hpp, Utility.cpp, Utility.hpp: [no log
54 +        message]
55 +
56 + 2004-02-06 16:37  tim
57 +
58 +        * ChangeLog, libBASS/Globals.cpp,
59 +        libmdtools/ConjugateMinimizer.cpp, libmdtools/Integrator.cpp,
60 +        libmdtools/Integrator.hpp, libmdtools/OOPSEMinimizerBase.cpp,
61 +        libmdtools/SimSetup.cpp, samples/water/ssd.bass: Single version of
62 +        energy minimization for argon is working, need to add constraint
63 +
64 + 2004-02-06 14:05  tim
65 +
66 +        * libmdtools/: AllIntegrator.hpp, Makefile.in, SimSetup.cpp: Add
67 +        one more file into Makefile.in
68 +
69 + 2004-02-06 13:58  tim
70 +
71 +        * ChangeLog, libBASS/Globals.cpp, libBASS/Globals.hpp,
72 +        libmdtools/AllIntegrator.hpp, libmdtools/ConjugateMinimizer.cpp,
73 +        libmdtools/ConjugateMinimizer.hpp, libmdtools/Functor.hpp,
74 +        libmdtools/Integrator.hpp, libmdtools/Makefile.in,
75 +        libmdtools/Minimizer.hpp, libmdtools/Minimizer1D.cpp,
76 +        libmdtools/Minimizer1D.hpp, libmdtools/MinimizerBase.hpp,
77 +        libmdtools/MinimizerParameterSet.hpp, libmdtools/NLModel.hpp,
78 +        libmdtools/NLModel1.cpp, libmdtools/OOPSEMinimizerBase.cpp,
79 +        libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp,
80 +        libmdtools/SimSetup.cpp, libmdtools/SimSetup.hpp, src/oose.cpp: Add
81 +        some lines into global.cpp to make it work with energy minimization
82 +
83 + 2004-02-04 17:26  tim
84 +
85 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
86 +        Constraint.hpp, Functor.hpp, Minimizer.hpp, Minimizer1D.cpp,
87 +        Minimizer1D.hpp, MinimizerBase.hpp, MinimizerParameterSet.hpp,
88 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp: Fix a bunch of bugs   :-)
89 +        Single version of conjugate gradient with golden search linesearch
90 +        pass a couple of functions test. Brent's  algorithm is still broken
91 +
92 + 2004-02-03 17:54  tim
93 +
94 +        * libmdtools/: ConjugateMinimizer.cpp, ConjugateMinimizer.hpp,
95 +        Minimizer1D.cpp, Minimizer1D.hpp, MinimizerParameterSet.hpp,
96 +        NLModel.hpp, NLModel0.cpp, NLModel1.cpp, SteepestDescent.cpp,
97 +        SteepestDescent.hpp: NLModel0, NLModel1 pass uit test
98 +
99 + 2004-02-03 15:47  tim
100 +
101 +        * libmdtools/: ConjugateMinimizer.cpp, ConstraintList.cpp,
102 +        ConstraintList.hpp, LinearCons.cpp, LinearCons.hpp, Minimizer.hpp,
103 +        NonlinearCons.cpp, NonlinearCons.hpp, OOPSEMinimizerBase.cpp,
104 +        SimpleBoundCons.cpp, SimpleBoundCons.hpp, SteepestDescent.cpp,
105 +        SteepestDescent.hpp: [no log message]
106 +
107 + 2004-02-03 15:43  tim
108 +
109 +        * libmdtools/: ConjugateMinimizer.hpp, Constraint.cpp,
110 +        Constraint.hpp, Integrator.hpp, Minimizer1D.cpp, Minimizer1D.hpp,
111 +        MinimizerBase.hpp, MinimizerParameterSet.hpp, NLModel.hpp,
112 +        NLModel0.cpp, NLModel1.cpp: to avoid cyclic depency, refactory
113 +        constraint class
114 +
115 + 2004-02-03 12:10  tim
116 +
117 +        * libmdtools/Functor.hpp: Functor.hpp pass unit test
118 +
119 + 2004-02-03 10:21  tim
120 +
121 +        * ChangeLog, libmdtools/Minimizer1D.cpp,
122 +        libmdtools/Minimizer1D.hpp: begin unit test of minimizer
123 +
124   2004-02-02 15:29  tim
125  
126          * libmdtools/: ConjugateMinimizer.hpp, Minimizer1D.cpp,
# Line 2561 | Line 2684
2684  
2685   2003-03-25 09:29  mmeineke
2686  
2687 <        * libBASS/obj/dummy, libmdtools/obj/dummy, src/MPIobj/dummy,
2688 <        src/obj/dummy: [no log message]
2687 >        * libBASS/obj/dummy, libmdtools/obj/dummy, libmdtools/MPIobj/dummy,
2688 >        src/MPIobj/dummy, src/obj/dummy: [no log message]
2689  
2690   2003-03-25 09:29  mmeineke
2691  

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