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Started working on hippo/gpu

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This commit is contained in:
Trung Nguyen
2021-09-23 09:21:55 -05:00
parent 2428f1f4d5
commit 830b5fa2dd
1 changed files with 6 additions and 3 deletions
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9
src/GPU/pair_hippo_gpu.cpp
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@ -121,6 +121,9 @@ double hippo_gpu_bytes();
PairHippoGPU::PairHippoGPU(LAMMPS *lmp) : PairAmoeba(lmp), gpu_mode(GPU_FORCE)
{
amoeba = 0;
hippo = 1;
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
@ -131,9 +134,9 @@ PairHippoGPU::PairHippoGPU(LAMMPS *lmp) : PairAmoeba(lmp), gpu_mode(GPU_FORCE)
gpu_hal_ready = false; // always false for HIPPO
gpu_repulsion_ready = false; // true for HIPPO when ready
gpu_dispersion_real_ready = false; // true for HIPPO when ready
gpu_multipole_real_ready = true;
gpu_udirect2b_ready = true;
gpu_umutual2b_ready = true;
gpu_multipole_real_ready = false;
gpu_udirect2b_ready = false;
gpu_umutual2b_ready = false;
gpu_polar_real_ready = true;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);