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Searched refs:num_gauss (Results 1 – 3 of 3) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/
H A Ddump_info.F90475 integer, intent(in) :: num_gauss local
476 integer, intent(in) :: gau_rpower(num_gauss)
477 real(REALK), intent(in) :: gau_exponent(num_gauss)
478 real(REALK), intent(in) :: gau_coeff(num_gauss)
502 do igau = 1, num_gauss
522 subroutine dump_mcp1_pot(idx_mcp, coord_mcp, charge_mcp, num_gauss, & argument
529 integer, intent(in) :: num_gauss local
530 integer, intent(in) :: gau_rpower(num_gauss)
531 real(REALK), intent(in) :: gau_exponent(num_gauss)
532 real(REALK), intent(in) :: gau_coeff(num_gauss)
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_ddapc_util.F151 num_gauss = SIZE(inp_radii)
152 ALLOCATE (radii(num_gauss))
158 ALLOCATE (radii(num_gauss))
159 DO i = 1, num_gauss
227 num_gauss, pmax, pmin local
325 num_gauss = SIZE(inp_radii)
326 ALLOCATE (radii(num_gauss))
332 ALLOCATE (radii(num_gauss))
333 DO i = 1, num_gauss
365 DO i = 1, ndim, num_gauss
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_ddapc_util.F151 num_gauss = SIZE(inp_radii)
152 ALLOCATE (radii(num_gauss))
158 ALLOCATE (radii(num_gauss))
159 DO i = 1, num_gauss
227 num_gauss, pmax, pmin local
325 num_gauss = SIZE(inp_radii)
326 ALLOCATE (radii(num_gauss))
332 ALLOCATE (radii(num_gauss))
333 DO i = 1, num_gauss
365 DO i = 1, ndim, num_gauss
[all …]