File
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Last Change |
|---|---|
 ../
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zeolite/
|
1725 (13 years ago) by gezelter: Individual ForceField classes have been removed (they were essentially all duplicates anyway). ForceField has moved to brains, and since only one force field is in play at any time, the ForceFieldFactory and Register methods have been removed. |
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zcons/
|
1647 (13 years ago) by gezelter: fixing the build system |
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water/
|
1768 (12 years ago) by gezelter: Fixed a bug in the FluctuatingChargeLangevin propagator, updated some samples. |
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thermoIntegration/
|
1647 (13 years ago) by gezelter: fixing the build system |
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minimizer/
|
1751 (12 years ago) by gezelter: Adding Joseph's FlucQ samples for testing |
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metals/
|
1647 (13 years ago) by gezelter: fixing the build system |
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lipid/
|
1647 (13 years ago) by gezelter: fixing the build system |
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gbljtest/
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1690 (13 years ago) by gezelter: Fixed a number of force files to use new Gay Berne format |
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fluctuating/
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1766 (12 years ago) by gezelter: Added Fluctuating Charge Langevin propagator, and made it the default fixed some errors on the one-center slater coulomb integrals, and some parameters in PhysicalConstants. |
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dipole/
|
1781 (12 years ago) by gezelter: Updated the manual to include the RNEMD stuff. Fixed a holdover bug in a sample file. |
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cutoff/
|
1647 (13 years ago) by gezelter: fixing the build system |
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builders/
|
1701 (13 years ago) by kstocke1: Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders. |
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bond-order/
|
1647 (13 years ago) by gezelter: fixing the build system |
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argon/
|
1745 (12 years ago) by jmichalk: test |
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alkane/
|
1761 (12 years ago) by gezelter: fixes for fluctuating charges |
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SMIPD/
|
1647 (13 years ago) by gezelter: fixing the build system |
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RNEMD/
|
1783 (12 years ago) by kstocke1: Added 6, 8, 10 and 12 length alkane chains to thiols |
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Madelung/
|
1768 (12 years ago) by gezelter: Fixed a bug in the FluctuatingChargeLangevin propagator, updated some samples. |