1 |
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2003-08-26 15:37 tim |
2 |
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|
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* libmdtools/: Integrator.cpp, ZConstraint.cpp, do_Forces.F90, |
4 |
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mpiSimulation.cpp: set default force substraction policy to |
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PolicyByMass |
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|
7 |
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2003-08-26 15:29 tim |
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|
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* libmdtools/Integrator.cpp: [no log message] |
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|
11 |
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2003-08-26 15:13 mmeineke |
12 |
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|
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* utils/sysbuilder/bilayerSys.cpp: added define statemewnt to |
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Statwriter and Dumpwriter to handle files larger than 2 gb. |
15 |
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|
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commented out some print statements in Zconstraint |
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|
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hard coding some system init into bilayer.sys |
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|
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2003-08-26 15:12 mmeineke |
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|
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* libmdtools/: DumpWriter.cpp, StatWriter.cpp, ZConstraint.cpp: |
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added define statemewnt to Statwriter and Dumpwriter to handle |
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files larger than 2 gb. |
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|
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commented out some print statements in Zconstraint |
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|
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2003-08-26 15:02 tim |
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|
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* libmdtools/SimSetup.cpp: Use make_sprng_seed() to generate seed |
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and check the seed which is specified by user at least contains 9 |
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digits |
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|
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2003-08-26 13:32 mmeineke |
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|
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* libmdtools/DUFF.cpp: changed the Makefiel a litle. |
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|
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Fixed a bug in MPI_DUFF. The atom block type was not being properly |
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constucted in MPI. (The MPI struct had 6 doubles declared versus |
40 |
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the actual 11) |
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|
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2003-08-26 13:30 mmeineke |
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|
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* Makefile: changed the Makefiel a litle. |
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|
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2003-08-25 17:17 gezelter |
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|
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* utils/sysbuilder/Makefile: More FreeBSD fixes |
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|
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2003-08-25 16:51 gezelter |
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|
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* libBASS/BASSlex.l, libBASS/Makefile, libmdtools/Integrator.hpp, |
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libmdtools/Makefile, src/Makefile: [no log message] |
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|
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2003-08-22 15:04 mmeineke |
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|
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* libmdtools/: Integrator.cpp, ZConstraint.cpp: small bug fix on |
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frequency of output dumps. |
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|
60 |
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2003-08-20 17:23 tim |
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|
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* libBASS/Globals.hpp, libmdtools/SimInfo.hpp, |
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libmdtools/SimSetup.cpp, libmdtools/Thermo.cpp, |
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libmdtools/mpiSimulation.cpp: user can setup seed in bass file now, |
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if he does not specify any value for seed, oopse will take the |
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value of seconds of system time as seed |
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|
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2003-08-20 14:42 mmeineke |
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|
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* libmdtools/Atom.cpp, libmdtools/DUFF.cpp, |
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libmdtools/GhostBend.cpp, libmdtools/SRI.hpp, |
72 |
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libmdtools/SimSetup.cpp, libmdtools/SimState.cpp, |
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utils/sysbuilder/bilayerSys.cpp: updated the Changelog. |
74 |
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|
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added some bug fixes for setting the random number generator seed |
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value. |
77 |
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|
78 |
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fixed a bug where ghostbend atom b was not being set. ( recent bug |
79 |
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from SimState conversion) |
80 |
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|
81 |
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2003-08-20 14:41 mmeineke |
82 |
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|
83 |
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* libBASS/Globals.hpp: updated the Changelog. |
84 |
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|
85 |
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added some bug fixes for setting the random number generator seed |
86 |
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value. |
87 |
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|
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2003-08-20 14:41 mmeineke |
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|
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* ChangeLog: updated the Changelog. |
91 |
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|
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2003-08-20 14:11 tim |
93 |
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|
94 |
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* libBASS/Globals.cpp, libmdtools/DUFF.cpp, |
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libmdtools/GhostBend.cpp, libmdtools/SRI.hpp: bug fixed in ghost |
96 |
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bend class |
97 |
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|
98 |
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2003-08-20 10:13 mmeineke |
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|
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* utils/: Makefile, sysbuilder/Makefile: quick makefile fix, in |
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make links. added -f to ln -s. |
102 |
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|
103 |
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2003-08-20 09:50 tim |
104 |
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|
105 |
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* libmdtools/: ZConsWriter.cpp, ZConstraint.cpp: [no log message] |
106 |
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|
107 |
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2003-08-20 09:34 tim |
108 |
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|
109 |
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* libmdtools/: Integrator.hpp, SimSetup.cpp, ZConsWriter.cpp, |
110 |
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ZConstraint.cpp: reformmating ZConstraint and fixe bug of error msg |
111 |
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printing |
112 |
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|
113 |
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2003-08-18 15:59 chuckv |
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|
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* utils/sysbuilder/: MoLocator.cpp, MoLocator.hpp, bilayerSys.cpp, |