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Renamed sp_polar to sp_amoeba, and replaced special_wscale with special_hal for amoeba

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Trung Nguyen
2021-10-02 16:02:44 -05:00
parent 5a6426bf96
commit 0f0f6a51de
3 changed files with 34 additions and 48 deletions
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17
lib/gpu/lal_amoeba.h
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@ -70,17 +70,12 @@ class Amoeba : public BaseAmoeba<numtyp, acctyp> {
UCL_D_Vec<numtyp4> coeff_amtype;
/// csix = coeff_amclass.x; adisp = coeff_amclass.y;
UCL_D_Vec<numtyp4> coeff_amclass;
/// Special polar values [0-4]:
/// sp_polar.x = special_polar_wscale
/// sp_polar.y special_polar_pscale,
/// sp_polar.z = special_polar_piscale
/// sp_polar.w = special_mpole
UCL_D_Vec<numtyp4> sp_polar;
/// Special nonpolar values [0-4]:
/// sp_nonpolar.x = special_hal
/// sp_nonpolar.y special_repel
/// sp_nonpolar.z = special_disp
UCL_D_Vec<numtyp4> sp_nonpolar;
/// Special amoeba values [0-4]:
/// sp_amoeba.x = special_hal
/// sp_amoeba.y = special_polar_pscale,
/// sp_amoeba.z = special_polar_piscale
/// sp_amoeba.w = special_mpole
UCL_D_Vec<numtyp4> sp_amoeba;
/// If atom type constants fit in shared memory, use fast kernels
bool shared_types;