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Comparing trunk/OOPSE-3.0/ChangeLog (file contents):
Revision 2310 by chrisfen, Mon Sep 19 23:21:46 2005 UTC vs.
Revision 2337 by chrisfen, Wed Sep 28 18:46:04 2005 UTC

# Line 1 | Line 1
1 + 2005-09-28 11:55  tim
2 +
3 +        * src/math/SquareMatrix3.hpp: using epsilon instead of 0.0 to avoid
4 +        divergence in rotation matrix to quaternion transformation
5 +
6 + 2005-09-28 11:32  gezelter
7 +
8 +        * src/primitives/RigidBody.cpp: Rotation matrix multiplication
9 +        order error
10 +
11 + 2005-09-28 11:32  gezelter
12 +
13 +        * src/io/DumpReader.cpp: tracking down quaternion bug
14 +
15 + 2005-09-28 11:32  gezelter
16 +
17 +        * forceFields/DUFF2.frc: Added DIP atom types for 2-point water
18 +        model
19 +
20 + 2005-09-27 15:02  tim
21 +
22 +        * src/math/SquareMatrix3.hpp: fix a bug in convert rotation matrix
23 +        to quaternion
24 +
25 + 2005-09-26 13:38  chuckv
26 +
27 +        * src/UseTheForce/DarkSide/electrostatic.F90: Added define for ifc
28 +        7 so derfc is external. Other compilers should treat erfc as
29 +        intrinsic.
30 +
31 + 2005-09-26 12:07  chuckv
32 +
33 +        * src/UseTheForce/DarkSide/electrostatic.F90: Changed erfc to derfc
34 +        and declared it to be external to fix issure with ifc7. Hopefully
35 +        this will not cause a problem with other compilers where derfc is
36 +        an intrinsic function.
37 +
38 + 2005-09-26 11:42  chuckv
39 +
40 +        * src/UseTheForce/DarkSide/simulation.F90: MPI fix for SimHasAtype
41 +        in simulation module. We needed a seperate receive buffer.
42 +
43 + 2005-09-26 10:58  chuckv
44 +
45 +        * src/: brains/SimInfo.cpp, io/Globals.cpp, io/Globals.hpp: Added
46 +        support for skinThickness keyword to Globals.
47 +
48 + 2005-09-26 10:56  tim
49 +
50 +        * src/io/DumpReader.cpp: fix a typo in DumpReader
51 +
52 + 2005-09-26 09:27  chrisfen
53 +
54 +        * samples/: minimizer/tip4p_two.md,
55 +        thermoIntegration/liquid/ssde.md, thermoIntegration/solid/ssde.md,
56 +        water/dimer/cl.md, water/dimer/mix.md, water/dimer/mix2.md,
57 +        water/dimer/ssd.md, water/dimer/tap.md, water/dimer/two.md,
58 +        water/spce/spce.md, water/ssd/ssd.md, water/ssd-ion/ssdCl.md,
59 +        water/ssde/ssde.md, water/tap/tap.md, water/tip3p_ice/tp3.md,
60 +        water/tip4p/tp4.md: fixing up some samples
61 +
62 + 2005-09-24 12:39  chrisfen
63 +
64 +        * src/UseTheForce/DarkSide/electrostatic.F90: slowdown fixed - now
65 +        roughly the same speed as the old version when using dipoles
66 +        
67 +        energies are now exactly the same between the old version of OOPSE
68 +        and this version
69 +
70 + 2005-09-24 12:38  chrisfen
71 +
72 +        * samples/water/ssdrf/ssdrf.md: turned rf on
73 +
74 + 2005-09-23 15:31  chuckv
75 +
76 +        * src/UseTheForce/doForces.F90: Fixed "dum-dum" where we ignore the
77 +        skin thickness and hardcode listSkin to be 1.0. We now get listskin
78 +        from skin. This will get fixed to where we can manually set skin
79 +        thickness.
80 +
81 + 2005-09-22 13:50  gezelter
82 +
83 +        * src/math/derfc.F90: added error function
84 +
85 + 2005-09-21 19:08  chuckv
86 +
87 +        * src/integrators/Velocitizer.cpp: Removed print statement for
88 +        angular momentum and inertia tensor from velocitizer.
89 +
90 + 2005-09-21 19:04  chuckv
91 +
92 +        * src/integrators/Velocitizer.cpp: Removed print statements for
93 +        remove angular momentum.
94 +
95 + 2005-09-21 18:45  chuckv
96 +
97 +        * src/UseTheForce/DarkSide/LJ.F90: Bug fix: If we are not using LJ
98 +        (say we are using EAM), we probably shouldn't rebuild the LJ mixing
99 +        map.
100 +
101 + 2005-09-21 15:59  tim
102 +
103 +        * src/io/: DumpReader.cpp, DumpReader.hpp, DumpWriter.cpp:
104 +        DumpReader using pure c++ io
105 +
106 + 2005-09-21 12:20  chrisfen
107 +
108 +        * src/UseTheForce/: doForces.F90, DarkSide/LJ.F90: Fixed a
109 +        defaultCutoff bug (HEMES!)
110 +
111 + 2005-09-20 17:13  gezelter
112 +
113 +        * make/Makefile.in: libz additions
114 +
115 + 2005-09-20 17:03  gezelter
116 +
117 +        * configure, ac-tools/aclocal.m4, ac-tools/configure.in,
118 +        src/config.h.in: added check for zlib in configure
119 +
120 + 2005-09-20 16:22  tim
121 +
122 +        * src/io/: DumpWriter.cpp, DumpWriter.hpp, Makefile, gzstream.cpp,
123 +        gzstream.hpp, zipstream.hpp: adding zlib support for DumpWriter
124 +
125 + 2005-09-20 11:22  tim
126 +
127 +        * test/io/: ZipstreamTestCase.cpp, ZipstreamTestCase.hpp: adding
128 +        testcase for zipstream
129 +
130 + 2005-09-20 10:41  tim
131 +
132 +        * src/io/zipstream.hpp: adding zipstream.hpp
133 +
134 + 2005-09-20 10:34  chrisfen
135 +
136 +        * samples/: dipole/splitInWater.md, dipole/split_SSD.md,
137 +        dipole/twoSplitDipole.md, minimizer/ssdEM.md,
138 +        minimizer/tip4p_two.md, water/ssdrf/ssdrf.md, zcons/zconsFixed.md,
139 +        zcons/zconsMoving.md: fixed up some sample md files
140 +
141 + 2005-09-19 18:21  chrisfen
142 +
143 +        * ChangeLog, samples/water/ssdrf/ssdrf.md,
144 +        src/UseTheForce/doForces.F90,
145 +        src/UseTheForce/DarkSide/electrostatic.F90,
146 +        src/UseTheForce/DarkSide/simulation.F90, src/brains/SimInfo.cpp,
147 +        src/brains/fSimulation.h: Fixed bugs in reaction field, now it
148 +        appears as though it really is working...
149 +
150   2005-09-18 15:45  chrisfen
151  
152          * ChangeLog, samples/water/ssdrf/ssdrf.md,
# Line 6084 | Line 6233
6233  
6234   2004-09-29 12:56  gezelter
6235  
6236 <        * make/: Make.conf.in, Makefile.in, _files/style.css: Working on
6088 <        make stuff
6236 >        * make/: Make.conf.in, Makefile.in: Working on make stuff
6237  
6238   2004-09-29 12:46  tim
6239  
# Line 6351 | Line 6499
6499          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
6500          src/visitors/RigidBodyVisitor.cpp,
6501          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
6502 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
6355 <        make/_files/style.css, samples/Makefile.in,
6502 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
6503          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
6504          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
6505          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,
# Line 6527 | Line 6674
6674          src/visitors/OtherVisitor.cpp, src/visitors/OtherVisitor.hpp,
6675          src/visitors/RigidBodyVisitor.cpp,
6676          src/visitors/RigidBodyVisitor.hpp, src/visitors/ZconsVisitor.cpp,
6677 <        src/visitors/ZconsVisitor.hpp, make/Makefile,
6531 <        make/_files/style.css, samples/Makefile.in,
6677 >        src/visitors/ZconsVisitor.hpp, make/Makefile, samples/Makefile.in,
6678          samples/metals/Au-Core-Ag-Shell_Nanoparticle.in,
6679          samples/metals/Au-Core-Ag-Shell_Nanoparticle.md,
6680          samples/metals/Au_bulk_FBD.md, samples/metals/Au_bulk_voter.md,

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