MESMER Code

Brought to you by: chrismorl, struanr

Commit [r999] Maximize Restore History

* MolecularComponents.cpp: Code added to suppress the in writing of the general inertia matrix.

* Miscellaneous changes relating to VC12.
* Linux64 baseline updates.

Authored by: struanr 2014-06-01

Browse code at this revision

Parent: [r998]

Child: [r1000]

changed	/trunk/ChangeLog
changed	/trunk/MesmerQA/QA.sh
changed	/trunk/examples/Butyl_H_to_Butane/baselines/Linux64/mesmer.log
changed	/trunk/examples/Butyl_H_to_Butane/baselines/Linux64/mesmer.test
changed	/trunk/examples/Ethyl_H_to_Ethane/baselines/Linux64/mesmer.test
changed	/trunk/examples/Examples.sh
changed	/trunk/examples/Methoxymethyl/baselines/Linux64/Chebyshev.log
changed	/trunk/examples/Methoxymethyl/baselines/Linux64/Chebyshev.test
changed	/trunk/examples/Methoxymethyl/baselines/Linux64/ChebyshevCK.log
changed	/trunk/examples/Methoxymethyl/baselines/Linux64/ChebyshevCK.test
changed	/trunk/examples/OH_NO_to HONO/baselines/Linux64/mesmer.log
changed	/trunk/examples/i-propyl/baselines/Linux64/mesmer.log
changed	/trunk/src/MolecularComponents.cpp
changed	/trunk/src/Sobol.cpp
changed	/trunk/src/vector3.cpp

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/trunk/MesmerQA/QA.sh Diff Switch to side-by-side view

/trunk/examples/Butyl_H_to_Butane/baselines/Linux64/mesmer.log Diff Switch to side-by-side view

/trunk/examples/Butyl_H_to_Butane/baselines/Linux64/mesmer.test Diff Switch to side-by-side view

/trunk/examples/Ethyl_H_to_Ethane/baselines/Linux64/mesmer.test Diff Switch to side-by-side view

/trunk/examples/Examples.sh Diff Switch to side-by-side view

/trunk/examples/Methoxymethyl/baselines/Linux64/Chebyshev.log Diff Switch to side-by-side view

/trunk/examples/Methoxymethyl/baselines/Linux64/Chebyshev.test Diff Switch to side-by-side view

/trunk/examples/Methoxymethyl/baselines/Linux64/ChebyshevCK.log Diff Switch to side-by-side view

/trunk/examples/Methoxymethyl/baselines/Linux64/ChebyshevCK.test Diff Switch to side-by-side view

/trunk/examples/OH_NO_to HONO/baselines/Linux64/mesmer.log Diff Switch to side-by-side view

/trunk/examples/i-propyl/baselines/Linux64/mesmer.log Diff Switch to side-by-side view

/trunk/src/MolecularComponents.cpp Diff Switch to side-by-side view

/trunk/src/Sobol.cpp Diff Switch to side-by-side view

/trunk/src/vector3.cpp Diff Switch to side-by-side view