| File |
Last Change
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|---|---|
 ../
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src/
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1688 (13 years ago) by gezelter: Bug fixes for GB. Now using strength parameter mixing ideas from Wu et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the dissimilar particle mixing behavior to be the same whichever order the two particles come in. This does require that the force field file to specify explicitly the values for epsilon in the cross (X), side-by-side (S), and end-to-end (E) configurations. |
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samples/
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1677 (13 years ago) by jmarr: Fixed naming. |
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cmake/
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1668 (14 years ago) by gezelter: Some fixes for CMake and single precision builds |
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validation/
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1662 (14 years ago) by chuckv: Adding new function to check .eor files. |
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doc/
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1651 (14 years ago) by gezelter: Added "doc" build target. |
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forceFields/
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1647 (14 years ago) by gezelter: fixing the build system |
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test/
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1647 (14 years ago) by gezelter: fixing the build system |
LICENSE
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1668 (14 years ago) by gezelter: Some fixes for CMake and single precision builds |
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CMakeLists.txt
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1668 (14 years ago) by gezelter: Some fixes for CMake and single precision builds |
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INSTALL
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1655 (14 years ago) by gezelter: Replacing most of the C-code with C++ code, and migrating the config.h file into the PROJECT_BINARY_DIR so that we can have multiple builds on the same architecture. |
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README
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1651 (14 years ago) by gezelter: Added "doc" build target. |
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AUTHORS
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1639 (14 years ago) by gezelter: changing build process |