Implements test of bonded force routines.
- Author
- David van der Spoel david.nosp@m..van.nosp@m.dersp.nosp@m.oel@.nosp@m.icm.u.nosp@m.u.se
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constexpr int | gmx::anonymous_namespace{bonded.cpp}::c_numAtoms = 4 |
| Number of atoms used in these tests.
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std::vector< iListInput > | gmx::anonymous_namespace{bonded.cpp}::c_InputBonds |
| Function types for testing bonds. Add new terms at the end. More...
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const real | gmx::anonymous_namespace{bonded.cpp}::cQuarticAngles [5] = { 1.1, 2.3, 4.6, 7.8, 9.2 } |
| Constants for Quartic Angles.
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std::vector< iListInput > | gmx::anonymous_namespace{bonded.cpp}::c_InputAngles |
| Function types for testing angles. Add new terms at the end. More...
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const real | gmx::anonymous_namespace{bonded.cpp}::rbcA [NR_RBDIHS] = { -5.35, 13.6, 8.4, -16.7, 0.3, 12.4 } |
| Constants for Ryckaert-Bellemans A.
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const real | gmx::anonymous_namespace{bonded.cpp}::rbcB [NR_RBDIHS] = { -6.35, 12.6, 8.1, -10.7, 0.9, 15.4 } |
| Constants for Ryckaert-Bellemans B.
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const real | gmx::anonymous_namespace{bonded.cpp}::rbc [NR_RBDIHS] = { -7.35, 13.6, 8.4, -16.7, 1.3, 12.4 } |
| Constants for Ryckaert-Bellemans without FEP.
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std::vector< iListInput > | gmx::anonymous_namespace{bonded.cpp}::c_InputDihs |
| Function types for testing dihedrals. Add new terms at the end. More...
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std::vector< iListInput > | gmx::anonymous_namespace{bonded.cpp}::c_InputPols |
| Function types for testing polarization. Add new terms at the end. More...
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std::vector< iListInput > | gmx::anonymous_namespace{bonded.cpp}::c_InputRestraints |
| Function types for testing polarization. Add new terms at the end. More...
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std::vector< std::vector
< gmx::RVec > > | gmx::anonymous_namespace{bonded.cpp}::c_coordinatesForTests |
| Coordinates for testing. More...
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std::vector< int > | gmx::anonymous_namespace{bonded.cpp}::c_pbcForTests = { epbcNONE, epbcXY, epbcXYZ } |
| PBC values for testing.
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