apoCHARMM 1.0.0
High-performance molecular dynamics simulations on GPUs
 
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apocharmm.enums.CrystalType Class Reference

Selects the Langevin-piston crystal symmetry. More...

Inherits IntEnum.

Detailed Description

Selects the Langevin-piston crystal symmetry.

CUBIC uses one isotropic X/Y/Z degree of freedom. TETRAGONAL uses one coupled X/Y degree of freedom and one Z degree of freedom. ORTHORHOMBIC uses independent X, Y, and Z degrees of freedom. NONE represents the initial unconfigured state and is rejected by CudaLangevinPistonIntegrator.setCrystalType().

See also
cuda_integrators