Searched refs:kspecial (Results 1 – 3 of 3) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_band_structure.F | 126 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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_band_structure.F | 131 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 …]
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/kinetics/ |
H A D | solveSP.cpp | 369 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()
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