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Searched refs:n_urpoly (Results 1 – 24 of 24) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_dftb_parameters.F254 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 …]
H A Dqs_dftb_utils.F923 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
H A Dqs_dftb_types.F50 INTEGER :: n_urpoly ! order of polynomial component
H A Dqs_dftb_matrices.F105 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_dftb_parameters.F254 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 …]
H A Dqs_dftb_utils.F923 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
H A Dqs_dftb_types.F50 INTEGER :: n_urpoly ! order of polynomial component
H A Dqs_dftb_matrices.F105 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)
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/
H A Dpr77719.f9011 IF (n_urpoly > 0) THEN