n2p2 - A neural network potential package
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LAMMPS_NS::KSpaceHDNNP Member List

This is the complete list of members for LAMMPS_NS::KSpaceHDNNP, including all inherited members.

aconsLAMMPS_NS::KSpaceHDNNPprotected
adjust_gewald()LAMMPS_NS::KSpaceHDNNPprotected
allocate()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
boxloLAMMPS_NS::KSpaceHDNNPprotected
brick2fft()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
calculate_ewald_eta(int)LAMMPS_NS::KSpaceHDNNPprotected
calculate_ewald_eta_efficient()LAMMPS_NS::KSpaceHDNNPprotected
compute(int, int)LAMMPS_NS::KSpaceHDNNPvirtual
compute_df_kspace()LAMMPS_NS::KSpaceHDNNPprotected
compute_ewald_eqeq(const gsl_vector *)LAMMPS_NS::KSpaceHDNNPprotected
compute_gf_denom()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
compute_gf_ik()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
compute_pppm_dEdQ(int)LAMMPS_NS::KSpaceHDNNPprotected
compute_pppm_eqeq()LAMMPS_NS::KSpaceHDNNPprotected
compute_rho1d(const FFT_SCALAR &, const FFT_SCALAR &, const FFT_SCALAR &)LAMMPS_NS::KSpaceHDNNPprotected
compute_rho_coeff()LAMMPS_NS::KSpaceHDNNPprotected
csLAMMPS_NS::KSpaceHDNNPprotected
cutoffLAMMPS_NS::KSpaceHDNNPprotected
deallocate()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
delvolinvLAMMPS_NS::KSpaceHDNNPprotected
delxinvLAMMPS_NS::KSpaceHDNNPprotected
delyinvLAMMPS_NS::KSpaceHDNNPprotected
delzinvLAMMPS_NS::KSpaceHDNNPprotected
density_brickLAMMPS_NS::KSpaceHDNNPprotected
density_fftLAMMPS_NS::KSpaceHDNNPprotected
derivf()LAMMPS_NS::KSpaceHDNNPprotected
drho1dLAMMPS_NS::KSpaceHDNNPprotected
drho_coeffLAMMPS_NS::KSpaceHDNNPprotected
egLAMMPS_NS::KSpaceHDNNPprotected
ekLAMMPS_NS::KSpaceHDNNPprotected
estimate_ik_error(double, double, bigint)LAMMPS_NS::KSpaceHDNNPprotected
ewald_coeffs()LAMMPS_NS::KSpaceHDNNPprotected
ewald_etaLAMMPS_NS::KSpaceHDNNPprotected
ewald_max_chargeLAMMPS_NS::KSpaceHDNNPprotected
ewald_max_sigmaLAMMPS_NS::KSpaceHDNNPprotected
ewald_pbc(double)LAMMPS_NS::KSpaceHDNNPprotected
ewald_real_cutoffLAMMPS_NS::KSpaceHDNNPprotected
ewald_recip_cutoffLAMMPS_NS::KSpaceHDNNPprotected
ewald_sfexp()LAMMPS_NS::KSpaceHDNNPprotected
ewald_truncation_methodLAMMPS_NS::KSpaceHDNNPprotected
ewaldflagLAMMPS_NS::KSpaceHDNNPprotected
factorable(int)LAMMPS_NS::KSpaceHDNNPprotected
factorsLAMMPS_NS::KSpaceHDNNPprotected
fft1LAMMPS_NS::KSpaceHDNNPprotected
fft2LAMMPS_NS::KSpaceHDNNPprotected
final_accuracy()LAMMPS_NS::KSpaceHDNNPprotected
FixHDNNP classLAMMPS_NS::KSpaceHDNNPfriend
fkxLAMMPS_NS::KSpaceHDNNPprotected
fkyLAMMPS_NS::KSpaceHDNNPprotected
fkzLAMMPS_NS::KSpaceHDNNPprotected
gcLAMMPS_NS::KSpaceHDNNPprotected
gc_buf1LAMMPS_NS::KSpaceHDNNPprotected
gc_buf2LAMMPS_NS::KSpaceHDNNPprotected
gf_bLAMMPS_NS::KSpaceHDNNPprotected
gf_denom(const double &x, const double &y, const double &z) constLAMMPS_NS::KSpaceHDNNPinlineprotected
greensfnLAMMPS_NS::KSpaceHDNNPprotected
gsqmxLAMMPS_NS::KSpaceHDNNPprotected
h_xLAMMPS_NS::KSpaceHDNNPprotected
h_yLAMMPS_NS::KSpaceHDNNPprotected
h_zLAMMPS_NS::KSpaceHDNNPprotected
hdnnpLAMMPS_NS::KSpaceHDNNPprotected
init()LAMMPS_NS::KSpaceHDNNPvirtual
kcoeffLAMMPS_NS::KSpaceHDNNPprotected
kcountLAMMPS_NS::KSpaceHDNNPprotected
kewaldflagLAMMPS_NS::KSpaceHDNNPprotected
kmaxLAMMPS_NS::KSpaceHDNNPprotected
kmax3dLAMMPS_NS::KSpaceHDNNPprotected
kmax_createdLAMMPS_NS::KSpaceHDNNPprotected
KSpaceHDNNP(class LAMMPS *)LAMMPS_NS::KSpaceHDNNP
kxmaxLAMMPS_NS::KSpaceHDNNPprotected
kxmax_origLAMMPS_NS::KSpaceHDNNPprotected
kxvecsLAMMPS_NS::KSpaceHDNNPprotected
kymaxLAMMPS_NS::KSpaceHDNNPprotected
kymax_origLAMMPS_NS::KSpaceHDNNPprotected
kyvecsLAMMPS_NS::KSpaceHDNNPprotected
kzmaxLAMMPS_NS::KSpaceHDNNPprotected
kzmax_origLAMMPS_NS::KSpaceHDNNPprotected
kzvecsLAMMPS_NS::KSpaceHDNNPprotected
make_rho_qeq(const gsl_vector *)LAMMPS_NS::KSpaceHDNNPprotected
meLAMMPS_NS::KSpaceHDNNPprotected
newton_raphson_f()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
nfactorsLAMMPS_NS::KSpaceHDNNPprotected
nfftLAMMPS_NS::KSpaceHDNNPprotected
nfft_bothLAMMPS_NS::KSpaceHDNNPprotected
ngc_buf1LAMMPS_NS::KSpaceHDNNPprotected
ngc_buf2LAMMPS_NS::KSpaceHDNNPprotected
ngridLAMMPS_NS::KSpaceHDNNPprotected
nlowerLAMMPS_NS::KSpaceHDNNPprotected
nmaxLAMMPS_NS::KSpaceHDNNPprotected
npergridLAMMPS_NS::KSpaceHDNNPprotected
nprocsLAMMPS_NS::KSpaceHDNNPprotected
nupperLAMMPS_NS::KSpaceHDNNPprotected
nxhi_fftLAMMPS_NS::KSpaceHDNNPprotected
nxhi_ghostLAMMPS_NS::KSpaceHDNNPprotected
nxhi_inLAMMPS_NS::KSpaceHDNNPprotected
nxhi_outLAMMPS_NS::KSpaceHDNNPprotected
nxlo_fftLAMMPS_NS::KSpaceHDNNPprotected
nxlo_ghostLAMMPS_NS::KSpaceHDNNPprotected
nxlo_inLAMMPS_NS::KSpaceHDNNPprotected
nxlo_outLAMMPS_NS::KSpaceHDNNPprotected
nyhi_fftLAMMPS_NS::KSpaceHDNNPprotected
nyhi_ghostLAMMPS_NS::KSpaceHDNNPprotected
nyhi_inLAMMPS_NS::KSpaceHDNNPprotected
nyhi_outLAMMPS_NS::KSpaceHDNNPprotected
nylo_fftLAMMPS_NS::KSpaceHDNNPprotected
nylo_ghostLAMMPS_NS::KSpaceHDNNPprotected
nylo_inLAMMPS_NS::KSpaceHDNNPprotected
nylo_outLAMMPS_NS::KSpaceHDNNPprotected
nzhi_fftLAMMPS_NS::KSpaceHDNNPprotected
nzhi_ghostLAMMPS_NS::KSpaceHDNNPprotected
nzhi_inLAMMPS_NS::KSpaceHDNNPprotected
nzhi_outLAMMPS_NS::KSpaceHDNNPprotected
nzlo_fftLAMMPS_NS::KSpaceHDNNPprotected
nzlo_ghostLAMMPS_NS::KSpaceHDNNPprotected
nzlo_inLAMMPS_NS::KSpaceHDNNPprotected
nzlo_outLAMMPS_NS::KSpaceHDNNPprotected
PairHDNNP4G classLAMMPS_NS::KSpaceHDNNPfriend
part2gridLAMMPS_NS::KSpaceHDNNPprotected
particle_map()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
peratom_allocate_flagLAMMPS_NS::KSpaceHDNNPprotected
poisson()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
pppmflagLAMMPS_NS::KSpaceHDNNPprotected
procs2grid2d(int, int, int, int *, int *)LAMMPS_NS::KSpaceHDNNPprotected
remapLAMMPS_NS::KSpaceHDNNPprotected
rho1dLAMMPS_NS::KSpaceHDNNPprotected
rho_coeffLAMMPS_NS::KSpaceHDNNPprotected
rms(int, double, bigint, double)LAMMPS_NS::KSpaceHDNNPprotected
s_ewaldLAMMPS_NS::KSpaceHDNNPprotected
set_grid_global()LAMMPS_NS::KSpaceHDNNPprotectedvirtual
set_grid_local()LAMMPS_NS::KSpaceHDNNPprotected
settings(int, char **)LAMMPS_NS::KSpaceHDNNPvirtual
setup()LAMMPS_NS::KSpaceHDNNPvirtual
sf_coeffLAMMPS_NS::KSpaceHDNNPprotected
sf_imLAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff1LAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff2LAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff3LAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff4LAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff5LAMMPS_NS::KSpaceHDNNPprotected
sf_precoeff6LAMMPS_NS::KSpaceHDNNPprotected
sf_realLAMMPS_NS::KSpaceHDNNPprotected
sfexp_imLAMMPS_NS::KSpaceHDNNPprotected
sfexp_im_allLAMMPS_NS::KSpaceHDNNPprotected
sfexp_rlLAMMPS_NS::KSpaceHDNNPprotected
sfexp_rl_allLAMMPS_NS::KSpaceHDNNPprotected
shiftLAMMPS_NS::KSpaceHDNNPprotected
shiftoneLAMMPS_NS::KSpaceHDNNPprotected
snLAMMPS_NS::KSpaceHDNNPprotected
triclinicLAMMPS_NS::KSpaceHDNNPprotected
u_brickLAMMPS_NS::KSpaceHDNNPprotected
ugLAMMPS_NS::KSpaceHDNNPprotected
unitkLAMMPS_NS::KSpaceHDNNPprotected
v0_brickLAMMPS_NS::KSpaceHDNNPprotected
v1_brickLAMMPS_NS::KSpaceHDNNPprotected
v2_brickLAMMPS_NS::KSpaceHDNNPprotected
v3_brickLAMMPS_NS::KSpaceHDNNPprotected
v4_brickLAMMPS_NS::KSpaceHDNNPprotected
v5_brickLAMMPS_NS::KSpaceHDNNPprotected
vdx_brickLAMMPS_NS::KSpaceHDNNPprotected
vdy_brickLAMMPS_NS::KSpaceHDNNPprotected
vdz_brickLAMMPS_NS::KSpaceHDNNPprotected
vgLAMMPS_NS::KSpaceHDNNPprotected
volumeLAMMPS_NS::KSpaceHDNNPprotected
vx_brickLAMMPS_NS::KSpaceHDNNPprotected
vy_brickLAMMPS_NS::KSpaceHDNNPprotected
vz_brickLAMMPS_NS::KSpaceHDNNPprotected
work1LAMMPS_NS::KSpaceHDNNPprotected
work2LAMMPS_NS::KSpaceHDNNPprotected
~KSpaceHDNNP()LAMMPS_NS::KSpaceHDNNP