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Searched refs:kspecial (Results 1 – 3 of 3) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_band_structure.F126 REAL(kind=dp), DIMENSION(:, :), POINTER :: kpgeneral, kspecial, xkp local
170 ALLOCATE (kspecial(3, n_ptr))
189 kspecial(1:3, ip) = kpptr(1:3)
191 kspecial(1:3, ip) = (kpptr(1)*cell%hmat(1, 1:3) + &
195 kspecial(1:3, ip) = (kpptr(1)*cell%hmat(1, 1:3) + &
210 ip, ADJUSTL(TRIM(spname(ip))), kspecial(1:3, ip)
217 ip, ADJUSTL(TRIM(spname(ip))), kspecial(1:3, ip)
222 kpgeneral(1:3, 1) = kspecial(1:3, 1)
227 kpgeneral(1:3, ikk) = kspecial(1:3, ik - 1) + &
229 (kspecial(1:3, ik) - kspecial(1:3, ik - 1))
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_band_structure.F131 REAL(kind=dp), DIMENSION(:, :), POINTER :: kpgeneral, kspecial, xkp local
175 ALLOCATE (kspecial(3, n_ptr))
196 kspecial(1:3, ip) = kpptr(1:3)
198 kspecial(1:3, ip) = (kpptr(1)*cell%hmat(1, 1:3) + &
202 kspecial(1:3, ip) = (kpptr(1)*cell%hmat(1, 1:3) + &
214 kpgeneral(1:3, 1) = kspecial(1:3, 1)
219 kpgeneral(1:3, ikk) = kspecial(1:3, ik - 1) + &
221 (kspecial(1:3, ik) - kspecial(1:3, ik - 1))
242 "KPOINTS| Special point ", ip, ADJUSTL(TRIM(spname(ip))), kspecial(1:3, ip)
250 "# Special point ", ip, kspecial(1:3, ip), ADJUSTL(TRIM(spname(ip)))
[all …]
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/kinetics/
H A DsolveSP.cpp369 size_t kspecial = kins + m_spSurfLarge[isp]; in fun_eval() local
371 resid[kspecial] = sd; in fun_eval()
373 resid[kspecial] -= CSoln[kins + k]; in fun_eval()
388 size_t kspecial = kins + m_spSurfLarge[isp]; in fun_eval() local
390 resid[kspecial] = sd; in fun_eval()
392 resid[kspecial] -= CSoln[kins + k]; in fun_eval()