CUDA implementation of LamellarOrderParameter GPU routines.
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Functions |
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__global__ void | kernel_calculate_sq_partial (int n_particles, cuComplex *fourier_mode_partial, Scalar4 *postype, int n_wave, Scalar3 *wave_vectors, Scalar *d_modes, Scalar *phases) |
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__global__ void | kernel_final_reduce_fourier_modes (cuComplex *fourier_mode_partial, unsigned int nblocks, Scalar2 *fourier_modes, unsigned int n_wave) |
| cudaError_t | gpu_calculate_fourier_modes (unsigned int n_wave, Scalar3 *d_wave_vectors, unsigned int n_particles, Scalar4 *d_postype, Scalar *d_mode, Scalar2 *d_fourier_modes, Scalar *d_phases) |
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__global__ void | kernel_compute_sq_forces (unsigned int N, Scalar4 *postype, Scalar4 *force, Scalar *virial, unsigned int n_wave, Scalar3 *wave_vectors, Scalar *mode, Scalar V, Scalar bias, Scalar *phases) |
| cudaError_t | gpu_compute_sq_forces (unsigned int N, Scalar4 *d_postype, Scalar4 *d_force, Scalar *d_virial, unsigned int n_wave, Scalar3 *d_wave_vectors, Scalar *d_mode, const BoxDim global_box, Scalar bias, Scalar *d_phases) |
Detailed Description
CUDA implementation of LamellarOrderParameter GPU routines.
Function Documentation
| cudaError_t gpu_calculate_fourier_modes |
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unsigned int |
n_wave, |
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Scalar3 * |
d_wave_vectors, |
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unsigned int |
n_particles, |
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Scalar4 * |
d_postype, |
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Scalar * |
d_mode, |
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Scalar2 * |
d_fourier_modes, |
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Scalar * |
d_phases |
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Calculates the fourier modes for the collective variable
- Parameters:
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| n_wave | Number of modes |
| d_wave_vectors | Device array of wave vectors |
| n_particles | Number of particles |
| d_postype | Device array of particle positions and types |
| d_mode | Device array of per-type mode coefficients |
| d_fourier_modes | The fourier modes (Output device array) |
| d_phases | Device array of per-mode phase shifts |
- Returns:
- the CUDA status
| cudaError_t gpu_compute_sq_forces |
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unsigned int |
N, |
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Scalar4 * |
d_postype, |
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Scalar4 * |
d_force, |
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Scalar * |
d_virial, |
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unsigned int |
n_wave, |
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Scalar3 * |
d_wave_vectors, |
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Scalar * |
d_mode, |
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const BoxDim |
global_box, |
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Scalar |
bias, |
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Scalar * |
d_phases |
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) |
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Calculates the negative derivative of the collective variable with respect to particle positions
- Parameters:
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| N | Number of particles |
| d_postype | Array of particle positions and types |
| d_force | Array of per-particle forces |
| d_virial | Array of virial matrix elements per-particle |
| n_wave | Number of modes |
| d_wave_vectors | Device array of wave vectors |
| d_mode | Device array of per-type mode coefficients |
| global_box | Dimensions of the global simulation box |
| bias | The bias factor to multiply the forces with |
| d_phases | Device array of per-mode phase shifts |
- Returns:
- the CUDA status
