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/dports/devel/py-qutip/qutip-4.6.2/qutip/tests/
H A Dtest_sesolve.py89 psi0 = basis(2, 0) # initial state
100 psi0 = basis(2, 0) # initial state
248 def compare_evolution(self, H, psi0, tlist, argument
288 self.compare_evolution(H, psi0, tlist,
290 self.compare_evolution(H, psi0, tlist,
310 self.compare_evolution(H, psi0, tlist,
312 self.compare_evolution(H, psi0, tlist,
333 self.compare_evolution(H, psi0, tlist,
335 self.compare_evolution(H, psi0, tlist,
354 self.compare_evolution(H, psi0, tlist,
[all …]
H A Dtest_brmesolve_td.py75 brme = qutip.brmesolve([[H, '1']], psi0, times,
110 psi0 = qutip.ket2dm(psi0)
117 me = qutip.mesolve(H, psi0, times, c_ops, e_ops)
175 psi0 = qutip.basis(N, 9)
188 psi0 = qutip.basis(N, 9)
195 brme = qutip.brmesolve(H, psi0, times,
207 psi0 = qutip.basis(N, 2)
221 psi0 = qutip.fock_dm(N, 2)
223 me = qutip.mesolve(H, psi0, times).states
282 psi0 = qutip.ket2dm(psi0)
[all …]
H A Dtest_mesolve.py295 psi0 = basis(N, 9) # initial state
397 psi0 = basis(N, 9)
432 psi0 = basis(N, 9)
538 rho0vec = operator_to_vector(psi0*psi0.dag())
555 rho0vec = operator_to_vector(psi0*psi0.dag())
576 psi0 = basis(N, 9)
577 rho0vec = operator_to_vector(psi0*psi0.dag())
598 rho0vec = operator_to_vector(psi0*psi0.dag())
616 psi0 = basis(N, 9)
617 rho0vec = operator_to_vector(psi0*psi0.dag())
[all …]
H A Dtest_qubit_evolution.py43 def _qubit_integrate(tlist, psi0, epsilon, delta, g1, g2, solver): argument
60 output = mesolve(H, psi0, tlist, c_op_list, e_ops)
62 output = essolve(H, psi0, tlist, c_op_list, e_ops)
64 output = mcsolve(H, psi0, tlist, c_op_list, e_ops, ntraj=750)
80 psi0 = basis(2, 0) # initial state
83 sx, sy, sz = _qubit_integrate(tlist, psi0, epsilon, delta, g1, g2, "me")
103 psi0 = basis(2, 0) # initial state
106 sx, sy, sz = _qubit_integrate(tlist, psi0, epsilon, delta, g1, g2, "me")
125 psi0 = basis(2, 0) # initial state
149 psi0 = basis(2, 0) # initial state
[all …]
H A Dtest_scattering.py66 psi0 = basis(2, 0)
76 P0 = scattering_probability(Htls, psi0, 0, [sm], tlist)
77 P1 = scattering_probability(Htls, psi0, 1, [sm], tlist)
78 P2 = scattering_probability(Htls, psi0, 2, [sm], tlist)
92 psi0 = basis(2, 0)
103 state = temporal_scattered_state(Htls, psi0, 1, [sm], tlist)
118 psi0 = basis(2, 0)
125 P1 = scattering_probability(Htls, psi0, 1, c_ops, tlist)
126 P1_split = scattering_probability(Htls, psi0, 1, c_ops_split, tlist)
H A Dtest_brmesolve.py64 psi0 = (2*qutip.basis(2, 0) + qutip.basis(2, 1)).unit()
66 me = qutip.mesolve(H, psi0, times, c_ops=me_c_ops, e_ops=e_ops).expect
67 brme = qutip.brmesolve(H, psi0, times,
103 psi0 = qutip.ket2dm(psi0)
110 me = qutip.mesolve(H, psi0, times, c_ops, e_ops)
111 brme = qutip.brmesolve(H, psi0, times, a_ops, e_ops)
140 me = qutip.mesolve(H, psi0, times, c_ops, e_ops)
141 brme = qutip.brmesolve(H, psi0, times, a_ops, e_ops)
196 psi0 = (2*qutip.basis(2, 0) + qutip.basis(2, 1)).unit()
198 me = qutip.mesolve(H, psi0, times, c_ops=c_ops, e_ops=e_ops).expect
[all …]
H A Dtest_stochastic_me.py147 psi0 = coherent(N, 0.5)
152 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
175 psi0 = coherent(N, 0.5)
180 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
192 res = smesolve(H, psi0, times, [], sc_ops, e_ops,
215 psi0 = coherent(N, 0.5)
220 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
232 res = smesolve(H, psi0, times, [], sc_ops, e_ops,
255 psi0 = coherent(N, 0.5)
301 psi0 = coherent(N, 2.5)
[all …]
H A Dtest_stochastic_se.py143 psi0 = coherent(N, 0.5)
148 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
172 psi0 = coherent(N, 0.5)
177 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
178 res = ssesolve(H, psi0, times, sc_ops, e_ops,
203 psi0 = coherent(N, 0.5)
208 res_ref = mesolve(H, psi0, times, sc_ops, e_ops, args={"a":2})
209 res = ssesolve(H, psi0, times, sc_ops, e_ops,
235 psi0 = coherent(N, 2.5)
240 res_ref = mesolve(H, psi0, times, sc_ops, e_ops,
[all …]
H A Dtest_openmp.py88 psi0 = tensor(basis(N, n), basis(2, 1))
91 out = mesolve(H, psi0, tlist, c_op_list, [a.dag() * a, sm.dag() * sm], options=opts)
93 out_omp = mesolve(H, psi0, tlist, c_op_list, [a.dag() * a, sm.dag() * sm], options=opts)
133 psi0 = tensor(basis(N, n), basis(2, 1))
136 out_omp = mesolve(H, psi0, tlist, c_op_list, [a.dag() * a, sm.dag() * sm], options=opts)
138 out = mesolve(H, psi0, tlist, c_op_list, [a.dag() * a, sm.dag() * sm], options=opts)
/dports/math/py-spreg/spreg-1.2.4/spreg/
H A Drobust.py110 psi0 = spdot(xu.T, gwkxu)
112 psi0 = spdot(xu.T, xu)
114 psi0 = psi0 * (1. * reg.n / (reg.n - reg.k))
117 psi = spdot(psi1, np.dot(psi0, psi1.T))
119 psi = spdot(reg.xtxi, np.dot(psi0, reg.xtxi))
148 psi0 = spdot(xu.T, gwkxu)
155 reg.multi[m].vm = spdot(psi1, np.dot(psi0, psi1.T))
158 reg.multi[m].xtxi, np.dot(psi0, reg.multi[m].xtxi))
/dports/science/madness/madness-ebb3fd7/src/madness/mra/
H A Dtestqm.cc48 double_complex psi0(const coord_1d& r) { in psi0() function
81 const complex_function_1d& psi0) { in chin_chen() argument
87 psi1 = expV*psi0; in chin_chen()
104 const complex_function_1d& psi0) { in trotter() argument
107 psi0.reconstruct(); in trotter()
108 psi0.broaden(); in trotter()
109 psi0.broaden(); in trotter()
153 complex_function_1d psi0 = copy(psi); in test_trotter() local
173 double_complex phase = psi0.inner(psi); in test_trotter()
205 complex_function_1d psi0 = copy(psi); in test_chin_chen() local
[all …]
/dports/devel/py-qutip/qutip-4.6.2/qutip/
H A Dmcsolve.py203 if not psi0.isket:
215 mc.reset(tlist[0], psi0)
248 self.psi0 = None
260 if psi0 is not None:
261 self.psi0 = psi0
262 if self.psi0 is not None:
400 if psi0 is not None and psi0 != self.psi0:
401 self.psi0 = psi0
473 dims = self.psi0.dims[0]
493 dims = self.psi0.dims[0]
[all …]
H A Dsesolve.py56 def sesolve(H, psi0, tlist, e_ops=None, args=None, options=None, argument
131 if not (psi0.isket or psi0.isunitary):
157 func, ode_args = ss.makefunc(ss, psi0, args, e_ops, options)
160 v = psi0.full().ravel('F')
164 progress_bar, dims=psi0.dims)
259 def _generic_ode_solve(func, ode_args, psi0, tlist, e_ops, opt, argument
275 if psi0.isunitary:
276 initial_vector = psi0.full().ravel('F')
278 size = psi0.shape[0]
281 elif psi0.isket:
[all …]
/dports/math/py-mpmath/mpmath-1.2.1/mpmath/tests/
H A Dtest_gammazeta.py344 psi0 = lambda z: psi(0,z) function
349 assert psi0(pi).ae(0.97721330794200673)
359 assert psi0(inf) == inf
368 assert isnan(psi0(nan))
369 assert isnan(psi0(-inf))
371 assert psi0(3+0j).ae(psi0(3))
390 psi0 = lambda z: psi(0,z) function
393 assert psi0(0.5).ae(-euler-2*log(2))
394 assert psi0(1).ae(-euler)
409 psi0 = lambda z: psi(0,z) function
[all …]
/dports/science/cdcl/dcl-5.4.8-C/src/grph2/umpack/
H A Dumbndc.c30 tyc, xlm, psi0; in umbndc_() local
53 psi0 = pi / 2.f - tyc; in umbndc_()
57 xx = cos(psi0) * cos(rr) + sin(psi0) * sin(rr) * cos(th); in umbndc_()
65 if (psi0 == 0.f || psi0 == pi) { in umbndc_()
70 xx = (cos(rr) - cos(psi) * cos(psi0)) / (sin(psi) * sin(psi0)); in umbndc_()
/dports/biology/garlic/garlic-1.6/
H A Dgenerate_phi_psi.c41 double phi0, psi0; in GeneratePhiAndPsi_() local
54 psi0 = 2.356195; /* +135.0 degrees */ in GeneratePhiAndPsi_()
60 psi0 = -0.820305; /* -47.0 degrees */ in GeneratePhiAndPsi_()
66 psi0 = -0.314159; /* -18.0 degrees */ in GeneratePhiAndPsi_()
87 *psiP = psi0 + delta_psi; in GeneratePhiAndPsi_()
/dports/science/py-GPy/GPy-1.10.0/GPy/inference/latent_function_inference/
H A Dvar_dtc.py103 if psi0 is None:
104 psi0 = kern.psi0(Z, X)
122 if psi0 is None:
123 psi0 = kern.Kdiag(X)
164 psi0, A, LB, trYYT, data_fit, Y)
176 psi0, psi1, precision,
252 dL_dR += 0.5 * output_dim * (psi0 - np.sum(Lmi_psi1**2,0))[:,None] * beta**2
261 dL_dR += 0.5 * output_dim * (psi0.sum() * beta ** 2 - np.trace(A) * beta)
265 def _compute_log_marginal_likelihood(likelihood, num_data, output_dim, beta, het_noise, psi0, A, LB… argument
269 lik_2 = -0.5 * output_dim * (np.sum(beta.flatten() * psi0) - np.trace(A))
[all …]
H A Dvardtc_md.py22 psi0 = kern.psi0(Z, X)
26 psi0 = kern.Kdiag(X)
30 return psi0, psi1, psi2
52 psi0, psi1, psi2 = self.gatherPsiStat(kern, X, Z, Y, beta, uncertain_inputs)
70 dL_dpsi0 = np.zeros_like(psi0)
83 psi0_d = psi0[idx_d].sum()*beta_d
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/
H A Dpaw_inner_loop_md.F83 > psi0,psi1,psi2, argument
93 complex*16 psi0(npack1,nemax) local
288 call dcopy(2*npack1*nemax,psi1,1,psi0,1)
595 call Pack_cc_daxpy(1,1.0d0,psi0(1,n),psi2(1,n))
645 call Pack_c_SMul1(1,-h,psi0(1,i))
646 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
647 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
658 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
789 call Pack_c_SMul1(1,-h,psi0(1,i))
790 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/cpsd/
H A Dpaw_inner_loop_md.F83 > psi0,psi1,psi2,
93 complex*16 psi0(npack1,nemax)
288 call dcopy(2*npack1*nemax,psi1,1,psi0,1)
595 call Pack_cc_daxpy(1,1.0d0,psi0(1,n),psi2(1,n))
645 call Pack_c_SMul1(1,-h,psi0(1,i))
646 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
647 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
658 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
789 call Pack_c_SMul1(1,-h,psi0(1,i))
790 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F8 > psi0,psi1,psi2,dn, argument
18 complex*16 psi0(npack1,nemax) local
183 call dcopy(2*npack1*nemax,psi1,1,psi0,1)
400 call Pack_cc_daxpy(1,-1.0d0,psi0(1,n),psi2(1,n))
403 call Pack_cc_daxpy(1,1.0d0,psi0(1,n),psi2(1,n))
422 call Pack_cc_daxpy(1,dt,psi0(1,n),psi2(1,n))
460 call Pack_cc_idot(1,psi2(1,i),psi0(1,i),sum)
472 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
581 call Pack_c_SMul(1,-h,psi0(1,i),psi0(1,i))
582 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dinner_loop_qmmm_step.F8 > psi0,psi1,psi2,dn,
18 complex*16 psi0(npack1,nemax)
183 call dcopy(2*npack1*nemax,psi1,1,psi0,1)
400 call Pack_cc_daxpy(1,-1.0d0,psi0(1,n),psi2(1,n))
403 call Pack_cc_daxpy(1,1.0d0,psi0(1,n),psi2(1,n))
422 call Pack_cc_daxpy(1,dt,psi0(1,n),psi2(1,n))
460 call Pack_cc_idot(1,psi2(1,i),psi0(1,i),sum)
472 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
581 call Pack_c_SMul(1,-h,psi0(1,i),psi0(1,i))
582 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
[all …]
H A Dinner_loop_md.F21 > psi0,psi1,psi2,dn,
32 complex*16 psi0(npack1,nemaxq)
262 call Pack_c_nCopy(1,nemaxq,psi1,psi0)
302 call pspw_hfx_localize2_n(3,psi_r,psi0,psi1,psi2)
532 call Pack_cc_daxpy(1,1.0d0,psi0(1,n),psi2(1,n))
613 call Pack_c_SMul1(1,-h,psi0(1,i))
615 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
651 call Pack_cc_idot(1,psi0(1,i),psi0(1,i),sum)
753 call Pack_c_SMul1(1,-h,psi0(1,i))
754 call Pack_cc_daxpy(1,h,psi2(1,i),psi0(1,i))
[all …]
/dports/science/qmcpack/qmcpack-3.11.0/utils/afqmctools/afqmctools/wavefunction/
H A Dconverter.py264 return wfn, psi0, nelec
281 psi0 = numpy.zeros((nmo,na+nb),dtype=numpy.complex128)
282 psi0[:,:na] = psi0a.copy()
284 psi0[:,na:] = psi0b.copy()
286 psi0[:,na:] = psi0a[:,:nb].copy()
297 return (coeffs,wfn), psi0, (na, nb)
318 psi0 = numpy.zeros((nmo,na+nb),dtype=numpy.complex128)
319 psi0[:,:na] = psi0a.copy()
321 psi0[:,na:] = psi0b.copy()
323 psi0[:,na:] = psi0a.copy()
[all …]
/dports/math/wavelib/wavelib-f104d084be91cc7e59dc3253bedceb11ece77136/src/
H A Dcwt.h13 void psi0(int mother, double param, double *val, int *real);
17 double cdelta(int mother, double param, double psi0);
19 …ve, int N, double *scale, int jtot, double dt, double dj, double cdelta, double psi0, double *oup);

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