/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_dftb_parameters.F | 254 n_urpoly = 0 256 n_urpoly = 1 263 IF (n_urpoly < 2) n_urpoly = 0 337 IF (n_urpoly == 0) THEN 395 dftb_potential(ikind, jkind)%n_urpoly = n_urpoly 399 dftb_potential(ikind, jkind)%urep(2:n_urpoly) = uwork(2:n_urpoly) 467 n_urpoly = 0 469 n_urpoly = 1 476 IF (n_urpoly < 2) n_urpoly = 0 556 dftb_potential(ikind, jkind)%n_urpoly = n_urpoly [all …]
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H A D | qs_dftb_utils.F | 923 n_urpoly, urep, spdim, s_cut, srep, spxr, scoeff, surr, dograd) argument 927 INTEGER, INTENT(in) :: n_urpoly local 940 IF (n_urpoly > 0) THEN 946 DO ic = 2, n_urpoly 950 DO ic = 2, n_urpoly
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H A D | qs_dftb_types.F | 50 INTEGER :: n_urpoly ! order of polynomial component
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H A D | qs_dftb_matrices.F | 105 jkind, l1, l2, la, lb, llm, lmaxi, lmaxj, m, n1, n2, n_urpoly, natom, natorb_a, natorb_b, & local 265 n_urpoly = dftb_param_ij%n_urpoly 405 n_urpoly, urep, spdim, s_cut, srep, spxr, scoeff, surr, calculate_forces)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_dftb_parameters.F | 254 n_urpoly = 0 256 n_urpoly = 1 263 IF (n_urpoly < 2) n_urpoly = 0 337 IF (n_urpoly == 0) THEN 395 dftb_potential(ikind, jkind)%n_urpoly = n_urpoly 399 dftb_potential(ikind, jkind)%urep(2:n_urpoly) = uwork(2:n_urpoly) 467 n_urpoly = 0 469 n_urpoly = 1 476 IF (n_urpoly < 2) n_urpoly = 0 556 dftb_potential(ikind, jkind)%n_urpoly = n_urpoly [all …]
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H A D | qs_dftb_utils.F | 923 n_urpoly, urep, spdim, s_cut, srep, spxr, scoeff, surr, dograd) argument 927 INTEGER, INTENT(in) :: n_urpoly local 940 IF (n_urpoly > 0) THEN 946 DO ic = 2, n_urpoly 950 DO ic = 2, n_urpoly
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H A D | qs_dftb_types.F | 50 INTEGER :: n_urpoly ! order of polynomial component
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H A D | qs_dftb_matrices.F | 105 jkind, l1, l2, la, lb, llm, lmaxi, lmaxj, m, n1, n2, n_urpoly, natom, natorb_a, natorb_b, & local 265 n_urpoly = dftb_param_ij%n_urpoly 405 n_urpoly, urep, spdim, s_cut, srep, spxr, scoeff, surr, calculate_forces)
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/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/ |
H A D | pr77719.f90 | 11 IF (n_urpoly > 0) THEN
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