/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_utils/ |
H A D | integrate.F | 17 > power_r, 25 integer power_r local 53 sum_f = dcpl_mb(integrand(1))/(power_r+power_f+1) 91 > power_r, 99 integer power_r local 164 > power_r, argument 172 integer power_r local 232 > power_r, 240 integer power_r local 309 > power_r, [all …]
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H A D | bessel_transform.F | 33 integer power_r,power_f local 57 power_r = 1 70 > power_r,r,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_utils/ |
H A D | integrate.F | 17 > power_r, 25 integer power_r 53 sum_f = dcpl_mb(integrand(1))/(power_r+power_f+1) 91 > power_r, 99 integer power_r 164 > power_r, 172 integer power_r 232 > power_r, 240 integer power_r 309 > power_r, [all …]
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H A D | bessel_transform.F | 33 integer power_r,power_f 57 power_r = 1 70 > power_r,r,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
H A D | log_integrate.F | 22 > power_r, 29 integer power_r 47 f(k) = f(k)*r(k)**(power_r+1) 51 sum_f = f(1)/(power_r+power_f+1) 75 > power_r, 82 integer power_r 105 dbl_mb(integrand(1)+k-1) = f(k)*r(k)**(power_r+1) 109 sum_f = dbl_mb(integrand(1))/(power_r+power_f+1) 210 > power_r,r, 216 integer power_r [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
H A D | log_integrate.F | 22 > power_r, 29 integer power_r 47 f(k) = f(k)*r(k)**(power_r+1) 51 sum_f = f(1)/(power_r+power_f+1) 75 > power_r, 82 integer power_r 105 dbl_mb(integrand(1)+k-1) = f(k)*r(k)**(power_r+1) 109 sum_f = dbl_mb(integrand(1))/(power_r+power_f+1) 210 > power_r,r, 216 integer power_r [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | init_us_b0.f90 | 38 REAL(DP), ALLOCATABLE :: power_r(:), power_q(:) local 61 ALLOCATE( power_r(nbetam), power_q(nbetam) ) 98 CALL simpson( kktest, aux, rgrid(nt)%rab, power_r(nb) ) 102 WRITE( stdout, '(5X,a,1p,10e12.4)') "norm2 R:", (power_r(nb), nb=1,upf(nt)%nbeta) 141 … WRITE( stdout, '(5X,a,1p,10e12.4)') "1-ratio:", (1.D0-power_q(nb)/power_r(nb), nb=1,upf(nt)%nbeta) 144 missing_norm = MAXVAL(1.d0-power_q(1:upf(nt)%nbeta)/power_r(1:upf(nt)%nbeta)) 197 CALL simpson( kktest, aux, rgrid(nt)%rab, power_r(nb) ) 201 test = MAXVAL( 1.d0 - power_r(1:upf(nt)%nbeta)/power_q(1:upf(nt)%nbeta) ) 203 power_q = power_r 205 test = MAXVAL( 1.d0 - power_r(1:upf(nt)%nbeta)/power_q(1:upf(nt)%nbeta) ) [all …]
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H A D | init_us_0.f90 | 52 REAL(DP), ALLOCATABLE :: power_0(:,:), power_r(:,:), power_q(:,:), power_rs(:,:), power_qs(:,:) local 98 ALLOCATE( power_r(nbetam*(nbetam+1)/2 ,0:lmaxq), power_q(nbetam*(nbetam+1)/2 ,0:lmaxq) ) 159 power_0(:,:) = 0.0_DP ; power_r(:,:) = 0.0_DP ; power_q(:,:) = 0.0_DP 258 CALL simpson( upf(nt)%kkbeta, aux1, rgrid(nt)%rab, power_r(ijv,l+1) ) 270 power_r(:,0) = 0.0_DP 283 power_r(ijv,0) = power_r(ijv,0) + power_r(ijv,l+1) 292 … IF (power_0(ijv,0)>eps8) target_ratio = MIN(target_ratio, power_r(ijv,0)/power_0(ijv,0)) 545 DEALLOCATE( power_0, power_r, power_q, power_rs, power_qs )
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_ion_potential/ |
H A D | paw_matrix_ion.F | 126 integer power_r,power_f local 132 power_r = -1 151 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_ion_potential/ |
H A D | paw_matrix_ion.F | 126 integer power_r,power_f 132 power_r = -1 151 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_vloc/ |
H A D | paw_matrix_vloc.F | 130 integer power_r,power_f 136 power_r = 0 158 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_vloc/ |
H A D | paw_matrix_vloc.F | 130 integer power_r,power_f 136 power_r = 0 158 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_kinetic/ |
H A D | paw_matrix_kin.F | 138 integer power_r,power_f local 144 power_r = 0 168 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_kinetic/ |
H A D | paw_matrix_kin.F | 138 integer power_r,power_f 144 power_r = 0 168 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_matrix/ |
H A D | paw_comp_charge_matrix.F | 147 integer power_r 153 power_r = 0
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_matrix/ |
H A D | paw_comp_charge_matrix.F | 147 integer power_r 153 power_r = 0
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_comp_pot/ |
H A D | paw_matrix_comp_pot.F | 151 integer power_r local 158 power_r = 0
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_comp_pot/ |
H A D | paw_matrix_comp_pot.F | 151 integer power_r 158 power_r = 0
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_core/ |
H A D | paw_matrix_core.F | 134 integer power_r,power_f local 142 power_r = 0
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_core/ |
H A D | paw_matrix_core.F | 134 integer power_r,power_f 142 power_r = 0
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_ovlp/ |
H A D | paw_overlap_matrix.F | 153 integer power_r,power_f 159 power_r = 0 181 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_ovlp/ |
H A D | paw_overlap_matrix.F | 153 integer power_r,power_f 159 power_r = 0 181 tmp = def_integr1(power_f,dbl_mb(i_f),power_r,r(istart),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_hartree/ |
H A D | paw_matrix_hartree.F | 48 integer power_r local 59 power_r = 0
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_hartree/ |
H A D | paw_matrix_hartree.F | 48 integer power_r 59 power_r = 0
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/dports/emulators/mess/mame-mame0226/src/mame/drivers/ |
H A D | zaurus.cpp | 1480 …map(0x90020000, 0x9002001f).rw(m_sa_periphs, FUNC(sa1110_periphs_device::power_r), FUNC(sa1110_per… in main_map() 1494 …map(0x40f00000, 0x40f00037).rw(m_pxa_periphs, FUNC(pxa255_periphs_device::power_r), FUNC(pxa255_pe… in main_map()
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