1 |
+ |
2004-04-22 16:33 tim |
2 |
+ |
|
3 |
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* libmdtools/: InitializeFromFile.cpp, SimInfo.cpp, SimInfo.hpp, |
4 |
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Thermo.cpp, calc_charge_charge.F90, do_Forces.F90: change the |
5 |
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calculation of pressure tensor |
6 |
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|
7 |
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2004-04-22 09:55 tim |
8 |
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|
9 |
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* libmdtools/: DumpReader.cpp, InitializeFromFile.cpp: fixed |
10 |
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another bug in InitFromFile. MPI verion of OOPSE is working again |
11 |
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|
12 |
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2004-04-21 22:29 tim |
13 |
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|
14 |
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* libmdtools/: AtomVisitor.cpp, DumpReader.cpp, DumpWriter.cpp, |
15 |
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InitializeFromFile.cpp, NPT.cpp, NVT.cpp, OtherVisitor.cpp, |
16 |
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SimSetup.cpp, calc_charge_charge.F90, mpiSimulation.cpp: fixed two |
17 |
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bugs in MPI version of InitfromFile and one unmatch MPI command in |
18 |
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DumpWriter |
19 |
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|
20 |
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2004-04-21 00:32 tim |
21 |
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|
22 |
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* libmdtools/Functor.hpp, libmdtools/LinearCons.cpp, |
23 |
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libmdtools/LinearCons.hpp, utils/CmdlineZsub.c, |
24 |
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utils/CmdlineZsub.h, utils/zsub.cpp, utils/zsub.ggo: remove some |
25 |
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useless files |
26 |
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|
27 |
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2004-04-20 11:56 tim |
28 |
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|
29 |
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* libmdtools/: Integrator.cpp, NVT.cpp, OtherVisitor.cpp, |
30 |
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SimInfo.cpp, Thermo.cpp, Thermo.hpp: fixed getCOMVel and |
31 |
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velocitize at thermo |
32 |
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|
33 |
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2004-04-20 00:39 tim |
34 |
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|
35 |
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* ChangeLog, libmdtools/Atom.cpp, libmdtools/Atom.hpp, |
36 |
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libmdtools/AtomVisitor.cpp, libmdtools/AtomVisitor.hpp, |
37 |
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libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp, |
38 |
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libmdtools/DirectionalAtom.hpp, libmdtools/GenericData.hpp, |
39 |
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libmdtools/OtherVisitor.cpp, libmdtools/OtherVisitor.hpp, |
40 |
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libmdtools/RigidBodyVisitor.cpp, libmdtools/RigidBodyVisitor.hpp, |
41 |
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utils/Dump2XYZ.cpp, utils/Dump2XYZ.ggo, utils/Dump2XYZCmd.c, |
42 |
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utils/Dump2XYZCmd.h: DUMP2XYZ 0.99 version |
43 |
+ |
|
44 |
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2004-04-19 17:13 gezelter |
45 |
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|
46 |
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* libmdtools/: Atom.cpp, Integrator.cpp, NVT.cpp, SimInfo.cpp, |
47 |
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Thermo.cpp: Fixed a charge bug |
48 |
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|
49 |
|
2004-04-19 15:54 tim |
50 |
|
|
51 |
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* libmdtools/CompositeVisitor.cpp, libmdtools/CompositeVisitor.hpp, |