Home
last modified time | relevance | path

Searched refs:alpha_ppnl (Results 1 – 11 of 11) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dexternal_potential_types.F398 NULLIFY (potential%alpha_ppnl)
577 IF (ASSOCIATED(potential%alpha_ppnl)) THEN
578 DEALLOCATE (potential%alpha_ppnl)
917 IF (PRESENT(alpha_ppnl)) alpha_ppnl => potential%alpha_ppnl
1114 alpha_ppnl = potential%alpha_ppnl(l)
2297 potential%alpha_ppnl(l) = 0.0_dp
2676 IF (PRESENT(alpha_ppnl)) potential%alpha_ppnl => alpha_ppnl
2938 r = SQRT(0.5_dp/potential%alpha_ppnl(l))
3094 IF (ASSOCIATED(pot_in%alpha_ppnl)) THEN
3095 ALLOCATE (pot_out%alpha_ppnl(LBOUND(pot_in%alpha_ppnl, 1):UBOUND(pot_in%alpha_ppnl, 1)))
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dexternal_potential_types.F135 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, cexp_ppl component
391 NULLIFY (potential%alpha_ppnl)
570 IF (ASSOCIATED(potential%alpha_ppnl)) THEN
571 DEALLOCATE (potential%alpha_ppnl)
910 IF (PRESENT(alpha_ppnl)) alpha_ppnl => potential%alpha_ppnl
1107 alpha_ppnl = potential%alpha_ppnl(l)
1112 alpha_ppnl**(REAL(lprj_ppnl, dp) + 1.5_dp)/ &
2258 CALL reallocate(potential%alpha_ppnl, 0, lppnl)
2289 potential%alpha_ppnl(l) = 0.0_dp
2668 IF (PRESENT(alpha_ppnl)) potential%alpha_ppnl => alpha_ppnl
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcommutator_rpnl.F88 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a local
201 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl
257 zetc(1) = alpha_ppnl(l)
H A Dqs_interactions.F93 alpha_lsd, alpha_ppnl, c_local, & local
111 NULLIFY (alpha_ppnl, cexp_ppl, cprj_ppnl, zet)
174 alpha_ppnl=alpha_ppnl, &
232 exp_radius(lprj_ppnl, alpha_ppnl(l), &
H A Dcore_ppnl.F124 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local
261 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl
336 zetc(1) = alpha_ppnl(l)
H A Datom_kind_orbitals.F1195 alpha_ppnl=ap, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_interactions.F90 alpha_lsd, alpha_ppnl, c_local, & local
108 NULLIFY (alpha_ppnl, cexp_ppl, cprj_ppnl, zet)
169 alpha_ppnl=alpha_ppnl, &
230 exp_radius(lprj_ppnl, alpha_ppnl(l), &
H A Dsap_kind_types.F304 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local
455 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl
520 zetc(1) = alpha_ppnl(l)
H A Dcore_ppnl.F130 REAL(KIND=dp), DIMENSION(:), POINTER :: a_nl, alpha_ppnl, hprj, set_radius_a local
302 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl
356 zetc(1) = alpha_ppnl(l)
H A Dcommutator_rpnl.F95 REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a local
208 alpha_ppnl => gpotential(kkind)%gth_potential%alpha_ppnl
264 zetc(1) = alpha_ppnl(l)
H A Datom_kind_orbitals.F1195 alpha_ppnl=ap, &