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Searched refs:coef_C (Results 1 – 21 of 21) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/
H A Drel_mpole.F17 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
48 double precision coef_C(n_prim_C) ! [input] C dummy coeff
112 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
174 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
188 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
203 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
217 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
H A Drel_SSSSd.F19 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
60 double precision coef_C(NPC,NCC) ! [input] C coeffs
216 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
229 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
243 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
256 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
H A Drel_SSLL.F28 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
64 double precision coef_C(NPC,NCC) !< [Input] C small coeffs
221 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
239 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
258 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
276 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
H A Drel_SSLLd.F17 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc, argument
57 double precision coef_C(NPC,NCC) ! [input] C small coeffs local
216 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
230 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
245 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
259 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
H A Drel_SSSS.F36 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
73 double precision coef_C(NPC,NCC) !< [Input] C coeffs
230 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
244 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
259 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
273 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
H A Drel_LLSS.F28 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
64 double precision coef_C(NPC,NCC) !< [Input] C small coeffs
204 scr(k+i) = zeta_C(i)*coef_C(i,j)
242 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,
281 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,
H A Drel_LLSSd.F17 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
57 double precision coef_C(NPC,NCC) ! [input] C small coeffs
198 scr(k+i) = zeta_C(i)*coef_C(i,j)
231 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,ictrc,
260 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,ictrc,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/
H A Drel_mpole.F17 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
48 double precision coef_C(n_prim_C) ! [input] C dummy coeff
112 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
174 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
188 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
203 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
217 & Cxyz,zeta_C,coef_C,n_prim_C,l_C,
H A Drel_SSLLd.F17 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc, argument
57 double precision coef_C(NPC,NCC) ! [input] C small coeffs local
216 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
230 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
245 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
259 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
H A Drel_SSSSd.F19 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc, argument
60 double precision coef_C(NPC,NCC) ! [input] C coeffs local
216 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
229 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
243 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
256 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc,
H A Drel_SSLL.F28 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C, argument
64 double precision coef_C(NPC,NCC) !< [Input] C small coeffs local
221 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
239 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
258 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
276 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
H A Drel_SSSS.F36 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C, argument
73 double precision coef_C(NPC,NCC) !< [Input] C coeffs local
230 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
244 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
259 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
273 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,
H A Drel_LLSSd.F17 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C,ictrc, argument
57 double precision coef_C(NPC,NCC) ! [input] C small coeffs local
198 scr(k+i) = zeta_C(i)*coef_C(i,j)
231 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,ictrc,
260 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,ictrc,
H A Drel_LLSS.F28 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C, argument
64 double precision coef_C(NPC,NCC) !< [Input] C small coeffs local
204 scr(k+i) = zeta_C(i)*coef_C(i,j)
242 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,
281 & Cxyz,zeta_C,coef_C,NPC,NCC,l_C-1,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/ecp/
H A Decp_hessian.F7 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
322 & zeta_C(i_zeta),coef_C(i_coef),0,4,
372 & zeta_C(i_zeta),coef_C(i_coef),0,4,
433 & zeta_C(i_zeta),coef_C(i_coef),0,4,
533 & zeta_C(i_zeta),coef_C(i_coef),0,4,
583 & zeta_C(i_zeta),coef_C(i_coef),0,4,
644 & zeta_C(i_zeta),coef_C(i_coef),0,4,
719 & zeta_C(i_zeta),coef_C(i_coef),0,4,
747 & zeta_C(i_zeta),coef_C(i_coef),0,4,
787 & zeta_C(i_zeta),coef_C(i_coef),0,4,
[all …]
H A Decp_gradient.F7 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
98 & xyz_C(3,n_C),zeta_C(n_zeta_C),coef_C(n_zeta_C),
259 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
271 & zeta_C(i_zeta),coef_C(i_coef),0,4,
284 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
314 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
326 & zeta_C(i_zeta),coef_C(i_coef),0,4,
395 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
407 & zeta_C(i_zeta),coef_C(i_coef),0,4,
450 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
[all …]
H A Decp_integral.F27 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
116 & xyz_C(3,n_C),zeta_C(n_zeta_C),coef_C(n_zeta_C),
190 call ecp_matpr(coef_C,1,n_zeta_C,1,1,1,n_zeta_C,1,1,
266 & zeta_C,coef_C,0,4,tol,sphcart,
295 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
324 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
339 & zeta_C(i_zeta),coef_C(i_coef),0,4,
353 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/ecp/
H A Decp_hessian.F7 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
322 & zeta_C(i_zeta),coef_C(i_coef),0,4,
372 & zeta_C(i_zeta),coef_C(i_coef),0,4,
433 & zeta_C(i_zeta),coef_C(i_coef),0,4,
533 & zeta_C(i_zeta),coef_C(i_coef),0,4,
583 & zeta_C(i_zeta),coef_C(i_coef),0,4,
644 & zeta_C(i_zeta),coef_C(i_coef),0,4,
719 & zeta_C(i_zeta),coef_C(i_coef),0,4,
747 & zeta_C(i_zeta),coef_C(i_coef),0,4,
787 & zeta_C(i_zeta),coef_C(i_coef),0,4,
[all …]
H A Decp_gradient.F7 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
98 & xyz_C(3,n_C),zeta_C(n_zeta_C),coef_C(n_zeta_C),
259 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
271 & zeta_C(i_zeta),coef_C(i_coef),0,4,
284 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
314 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
326 & zeta_C(i_zeta),coef_C(i_coef),0,4,
395 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
407 & zeta_C(i_zeta),coef_C(i_coef),0,4,
450 & zeta_C,coef_C,0,4,tol,0,scr(i_scr),memscr,
[all …]
H A Decp_integral.F27 & xyz_C,zeta_C,coef_C,n_prim_C,n_colc_C,
116 & xyz_C(3,n_C),zeta_C(n_zeta_C),coef_C(n_zeta_C),
190 call ecp_matpr(coef_C,1,n_zeta_C,1,1,1,n_zeta_C,1,1,
266 & zeta_C,coef_C,0,4,tol,sphcart,
295 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
324 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
339 & zeta_C(i_zeta),coef_C(i_coef),0,4,
353 & zeta_C,coef_C,0,4,tol,sphcart,scr(i_scr),memscr,
/dports/science/py-scipy/scipy-1.7.1/scipy/special/_precompute/
H A Dwright_bessel.py193 class coef_C(sympy.Function): class
216 C0 = coef_C(0, xa, b)
227 expr = (coef_C(i, xa, b) / (C0/(1+xa)**i)).simplify()