Searched refs:num_gauss (Results 1 – 3 of 3) sorted by relevance
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ |
H A D | dump_info.F90 | 475 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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | cp_ddapc_util.F | 151 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | cp_ddapc_util.F | 151 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 …]
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