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Searched refs:R_c (Results 1 – 25 of 103) sorted by relevance

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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/
H A Doverlap.py101 def spherical_harmonics(R_c, lmax=LMAX): argument
102 R_c = np.asarray(R_c)
106 Yl(l, R_c, rlY_m)
112 R_c = np.asarray(R_c)
432 yield a1, a2, R_c, offset
573 self.R_c = R_c
576 self.r = np.linalg.norm(R_c)
615 def __init__(self, R_c): argument
616 self.R_c = np.asarray(R_c)
624 Yl(l, self.R_c, rlY_m)
[all …]
H A Dnewoverlap.py13 def add(a1, a2, R_c, offset): argument
14 r_and_offset_aao.setdefault((a1, a2), []).append((R_c, offset))
21 R_c = np.dot(spos2_c - spos1_c, cell_cv)
22 add(a1, a2, R_c, offset)
24 add(a2, a1, -R_c, -offset)
118 for R_c, offset in R_ca_and_offset_a:
119 r = np.linalg.norm(R_c)
132 disp = AtomicDisplacement(None, a1, a2, R_c, offset, phases)
H A Dtightbinding.py82 def bloch_to_real_space(self, A_qxMM, R_c=None): argument
96 if R_c is None:
99 R_Nc = [R_c]
108 for R_c in R_Nc:
110 phase_q = np.exp(2.j * pi * np.dot(self.ibzk_qc, R_c))
H A Dtci.py38 def add(a1, a2, R_c, offset): argument
39 r_and_offset_aao.setdefault((a1, a2), []).append((R_c, offset))
46 R_c = np.dot(spos2_c - spos1_c, cell_cv)
47 add(a1, a2, R_c, offset)
49 add(a2, a1, -R_c, -offset)
212 for R_c, offset in R_c_and_offset_a:
213 norm = np.linalg.norm(R_c)
216 disp = displacement(None, a1, a2, R_c, offset, phases)
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/doc/Eqs/
H A Dpair_lj_smooth_linear.tex8 …i\left(r\right) - \phi\left(R_c\right) - \left(r - R_c\right) \left.\frac{d\phi}{d r} \right|_{r=…
H A Dbond_quartic.tex6 E = K (r - R_c)^ 2 (r - R_c - B_1) (r - R_c - B_2) + U_0 +
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dbond_quartic.rst31 …E = K (r - R_c)^ 2 (r - R_c - B_1) (r - R_c - B_2) + U_0 + 4 \epsilon \left[ \left(\frac{\sigma}{r…
45 * :math:`R_c` (distance)
58 R_c &= 1.3 \\
65 :math:`R_c` is the cutoff length at which the bond potential goes smoothly to a
66 local maximum. If a bond length ever becomes :math:`> R_c`, LAMMPS "breaks"
/dports/science/ergo/ergo-3.8/source/integrals/
H A Dmultipole.cc163 ergo_real R_c[L][L]; in getTranslationMatrix() local
166 R_c[0][0] = 1; in getTranslationMatrix()
171 R_c[l+1][l+1] = -(dx * R_c[l][l] - dy * R_s[l][l]) / (2*l+2); in getTranslationMatrix()
172 R_s[l+1][l+1] = -(dy * R_c[l][l] + dx * R_s[l][l]) / (2*l+2); in getTranslationMatrix()
180 R_c_lmin1m = R_c[l-1][m]; in getTranslationMatrix()
183 R_c[l+1][m] = ((2*l+1)*dz*R_c[l][m] - r2*R_c_lmin1m) / ((l + m + 1) * (l - m + 1)); in getTranslationMatrix()
216 R_c_lmjmmk = R_c[lmj][mmk]; in getTranslationMatrix()
220 R_c_lmjmmk = m1topowlist[-mmk] * R_c[lmj][-mmk]; in getTranslationMatrix()
226 R_c_lmjmpk = R_c[lmj][mpk]; in getTranslationMatrix()
230 R_c_lmjmpk = m1topowlist[-mpk] * R_c[lmj][-mpk]; in getTranslationMatrix()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/eri_mme/
H A Deri_mme_lattice_summation.F534 Rp = R - R_c*dR
535 DO rr = CEILING(-R_c - R/dR), FLOOR(R_c - R/dR)
598 R_l = -R_c + s_shift
599 R_r = R_c + s_shift
895 DO rr1 = CEILING(-R_c(1) + rr1_delta), FLOOR(R_c(1) + rr1_delta)
900 DO rr2 = CEILING(-R_c(2) + rr2_delta), FLOOR(R_c(2) + rr2_delta)
1039 rr1_r = FLOOR(R_c(1) + rr1_delta)
1699 R_l = -R_c + s_shift
1700 R_r = R_c + s_shift
1852 R1_l = -R_c(1, :) + s1_shift
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/eri_mme/
H A Deri_mme_lattice_summation.F536 Rp = R-R_c*dR
537 DO rr = CEILING(-R_c-R/dR), FLOOR(R_c-R/dR)
600 R_l = -R_c+s_shift
601 R_r = R_c+s_shift
883 DO rr1 = CEILING(-R_c(1)+rr1_delta), FLOOR(R_c(1)+rr1_delta)
888 DO rr2 = CEILING(-R_c(2)+rr2_delta), FLOOR(R_c(2)+rr2_delta)
1028 rr1_r = FLOOR(R_c(1)+rr1_delta)
1689 R_l = -R_c+s_shift
1690 R_r = R_c+s_shift
1842 R1_l = -R_c(1, :)+s1_shift
[all …]
/dports/multimedia/v4l-utils/linux-5.13-rc2/arch/powerpc/math-emu/
H A Dlfs.c36 printk("R: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in lfs()
39 if (R_c == FP_CLS_NAN) { in lfs()
H A Dfnmadds.c46 if (R_c != FP_CLS_NAN) in fnmadds()
50 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadds()
H A Dfnmsubs.c49 if (R_c != FP_CLS_NAN) in fnmsubs()
53 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsubs()
H A Dfnmsub.c48 if (R_c != FP_CLS_NAN) in fnmsub()
52 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsub()
H A Dfnmadd.c45 if (R_c != FP_CLS_NAN) in fnmadd()
49 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadd()
/dports/multimedia/v4l_compat/linux-5.13-rc2/arch/powerpc/math-emu/
H A Dlfs.c36 printk("R: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in lfs()
39 if (R_c == FP_CLS_NAN) { in lfs()
H A Dfnmsubs.c49 if (R_c != FP_CLS_NAN) in fnmsubs()
53 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsubs()
H A Dfnmadds.c46 if (R_c != FP_CLS_NAN) in fnmadds()
50 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadds()
H A Dfnmsub.c48 if (R_c != FP_CLS_NAN) in fnmsub()
52 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsub()
H A Dfnmadd.c45 if (R_c != FP_CLS_NAN) in fnmadd()
49 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadd()
/dports/multimedia/libv4l/linux-5.13-rc2/arch/powerpc/math-emu/
H A Dlfs.c36 printk("R: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in lfs()
39 if (R_c == FP_CLS_NAN) { in lfs()
H A Dfnmadd.c45 if (R_c != FP_CLS_NAN) in fnmadd()
49 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadd()
H A Dfnmsub.c48 if (R_c != FP_CLS_NAN) in fnmsub()
52 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsub()
H A Dfnmsubs.c49 if (R_c != FP_CLS_NAN) in fnmsubs()
53 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmsubs()
H A Dfnmadds.c46 if (R_c != FP_CLS_NAN) in fnmadds()
50 printk("D: %ld %lu %lu %ld (%ld)\n", R_s, R_f1, R_f0, R_e, R_c); in fnmadds()

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