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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_linpot_rotinv.F90 DO lpot = 0, pot_maxl, 2
230 DO lpot = 0, pot_maxl, 2
231 norm2 = (2.0_dp*pot_beta)**(-0.5_dp - lpot)*gamma1(lpot)
233 DO ic = ncoset(lpot - 1) + 1, ncoset(lpot)
235 … saal(:, :, lpot/2 + 1) = saal(:, :, lpot/2 + 1) + saab(:, :, ic)*coeff*pot_weight/SQRT(norm2)
249 DO lpot = 0, pot_maxl, 2
277 DO lpot = 0, pot_maxl, 2
391 DO lpot = 0, pot_maxl, 2
475 DO lpot = 0, pot_maxl, 2
478 DO ic = ncoset(lpot - 1) + 1, ncoset(lpot)
[all …]
H A Dpao_potentials.F78 CALL pao_calc_gaussian(basis_set, block_V, Rab=Rab, lpot=0, beta=1.0_dp, weight=-1.0_dp)
99 …SUBROUTINE pao_calc_gaussian(basis_set, block_V, block_D, Rab, lpot, beta, weight, min_shell, max_… argument
105 INTEGER, INTENT(IN) :: lpot local
126 CPASSERT(MOD(lpot, 2) == 0) ! otherwise it's not rotationally invariant
127 …CPASSERT(orbital_pointers_maxl >= lpot) ! can't call init_orbital_pointers here, it's not thread-s…
143 lb_min = lpot
144 lb_max = lpot
212 coeff = multinomial(lpot/2, indco(:, ncoset(lpot - 1) + ic)/2)
224 coeff = multinomial(lpot/2, indco(:, ncoset(lpot - 1) + ic)/2)
241 norm2 = (2.0_dp*beta)**(-0.5_dp - lpot)*gamma1(lpot)
H A Dpao_param_gth.F410 INTEGER :: c, ikind, jkind, lpot, max_l, min_l, & local
434 outer: DO lpot = 0, pot_maxl, 2
452 CALL pao_calc_gaussian(basis_set, block_V, Rab=Rab, lpot=lpot, &
H A Dpao_ml_descriptor.F143 … CALL pao_calc_gaussian(basis_set, block_V=block_V, Rab=Rab, lpot=0, beta=beta, weight=weight)
172 … CALL pao_calc_gaussian(basis_set, block_D=block_D, Rab=Rab, lpot=0, beta=beta, weight=weight)
H A Dqs_interactions.F84 LOGICAL :: ecp_local, llsd, lpot, paw_atom local
166 lpot_present=lpot, &
190 IF (lpot) THEN
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_linpot_rotinv.F90 DO lpot = 0, pot_maxl, 2
230 DO lpot = 0, pot_maxl, 2
231 norm2 = (2.0_dp*pot_beta)**(-0.5_dp - lpot)*gamma1(lpot)
233 DO ic = ncoset(lpot - 1) + 1, ncoset(lpot)
235 … saal(:, :, lpot/2 + 1) = saal(:, :, lpot/2 + 1) + saab(:, :, ic)*coeff*pot_weight/SQRT(norm2)
249 DO lpot = 0, pot_maxl, 2
277 DO lpot = 0, pot_maxl, 2
391 DO lpot = 0, pot_maxl, 2
475 DO lpot = 0, pot_maxl, 2
478 DO ic = ncoset(lpot - 1) + 1, ncoset(lpot)
[all …]
H A Dpao_potentials.F78 CALL pao_calc_gaussian(basis_set, block_V, Rab=Rab, lpot=0, beta=1.0_dp, weight=-1.0_dp)
99 …SUBROUTINE pao_calc_gaussian(basis_set, block_V, block_D, Rab, lpot, beta, weight, min_shell, max_… argument
105 INTEGER, INTENT(IN) :: lpot local
126 CPASSERT(MOD(lpot, 2) == 0) ! otherwise it's not rotationally invariant
127 …CPASSERT(orbital_pointers_maxl >= lpot) ! can't call init_orbital_pointers here, it's not thread-s…
143 lb_min = lpot
144 lb_max = lpot
212 coeff = multinomial(lpot/2, indco(:, ncoset(lpot - 1) + ic)/2)
224 coeff = multinomial(lpot/2, indco(:, ncoset(lpot - 1) + ic)/2)
241 norm2 = (2.0_dp*beta)**(-0.5_dp - lpot)*gamma1(lpot)
H A Dpao_param_gth.F410 INTEGER :: c, ikind, jkind, lpot, max_l, min_l, & local
434 outer: DO lpot = 0, pot_maxl, 2
452 CALL pao_calc_gaussian(basis_set, block_V, Rab=Rab, lpot=lpot, &
H A Dpao_ml_descriptor.F143 … CALL pao_calc_gaussian(basis_set, block_V=block_V, Rab=Rab, lpot=0, beta=beta, weight=weight)
172 … CALL pao_calc_gaussian(basis_set, block_D=block_D, Rab=Rab, lpot=0, beta=beta, weight=weight)
H A Dqs_interactions.F87 LOGICAL :: ecp_local, llsd, lpot, paw_atom local
171 lpot_present=lpot, &
194 IF (lpot) THEN
/dports/science/octopus/octopus-10.5/src/poisson/
H A Dpoisson_multigrid.F90330 FLOAT, allocatable :: lpot(:), ldiag(:)
367 SAFE_ALLOCATE( lpot(1:mesh%np))
373 call dderivatives_lapl(der, pot, lpot)
374 …pot(1:mesh%np) = pot(1:mesh%np) - this%relax_factor/ldiag(1:mesh%np)*(lpot(1:mesh%np) - rho(1:mesh…
378 SAFE_DEALLOCATE_A(lpot)
/dports/science/quantum-espresso/q-e-qe-6.7.0/external/libbeef/
H A Dpbecor.c66 int lpot, double *ec, double *vc, in corpbe() argument
154 if (lpot == 0) { in corpbe()
173 int lpot, double *ec, double *vcup, double *vcdown, in corpbespin() argument
276 if (lpot == 0) { in corpbespin()
/dports/games/quantumminigolf/quantumminigolf-1.1.1.src/
H A DClassicSimulator.cpp80 unsigned char lpot, rpot, upot, dpot; //potentials left /right / up /down the current position in propagate() local
152 SDL_GetRGB(sdat[y*width+x-1], soft->format, &lpot, &mops, &mops); in propagate()
156 vel[0] -= .002/1.2*tic*(rpot-lpot); in propagate()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/rtutils/
H A Drt_tddft_spatial_potential.F62 integer :: lxyz, ixyz, lpot, ipot, iwgt, lwgt
218 if (.not. ma_push_get (mt_dbl, nqlocal, "potential", lpot, ipot))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/rtutils/
H A Drt_tddft_spatial_potential.F62 integer :: lxyz, ixyz, lpot, ipot, iwgt, lwgt
218 if (.not. ma_push_get (mt_dbl, nqlocal, "potential", lpot, ipot))
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/dft/
H A Ddfttest.cc338 double *agr,double *delgr,int *lcor,int *lpot,
/dports/math/R/R-4.1.2/src/library/graphics/po/
H A Dit.po582 #~ msgstr "tipo lpot '%s' verrà troncato al primo carattere"
/dports/math/libRmath/R-4.1.1/src/library/graphics/po/
H A Dit.po582 #~ msgstr "tipo lpot '%s' verrà troncato al primo carattere"
/dports/databases/postgresql96-pltcl/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-server/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-plpython/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-client/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-plperl/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-contrib/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""
/dports/databases/postgresql96-docs/postgresql-9.6.24/src/backend/po/
H A Dsv.po15941 msgstr "SELECT-regels målpot %d har en annan typ än kolumnen \"%s\""

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