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Collective Variables Module - Developer Documentation
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Classes | |
| struct | coordNumPairListT |
| struct | selfCoordNumTileListT |
Public Member Functions | |
| coordnum_gpu_impl_t (colvar::coordnum *cpu_coordnum_in) | |
| int | init () |
| int | calc_value_two_groups (int flags) |
| int | calc_value_group_to_com (int flags) |
| int | calc_value_two_coms (int flags) |
| int | calc_value_self_group (int flags) |
Public Attributes | |
| cvm::real * | h_coordnum |
Private Attributes | |
| colvarmodule * | cvmodule |
| colvar::coordnum * | cvc |
| bool * | d_pairlist |
| cvm::real * | d_coordnum |
| cvm::rvector * | d_com_grad_tmp [2] |
| cvm::rvector * | d_com_grad_out [2] |
| unsigned int * | d_tbcount |
| struct colvar::coordnum::coordnum_gpu_impl_t::coordNumPairListT | coordNumPairList |
| struct colvar::coordnum::coordnum_gpu_impl_t::selfCoordNumTileListT | selfCoordNumTileList |