Searched refs:shell_dist (Results 1 – 5 of 5) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | wannier90.F | 906 SUBROUTINE kmesh_get_bvectors(multi, kpt, shell_dist, bvector) argument
914 REAL(kind=dp), INTENT(in) :: shell_dist local
929 …IF ((dist .GE. shell_dist*(1.0_dp - kmesh_tol)) .AND. dist .LE. shell_dist*(1.0_dp + kmesh_tol)) T…
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | wannier90.F | 906 SUBROUTINE kmesh_get_bvectors(multi, kpt, shell_dist, bvector) argument
914 REAL(kind=dp), INTENT(in) :: shell_dist local
929 …IF ((dist .GE. shell_dist*(1.0_dp - kmesh_tol)) .AND. dist .LE. shell_dist*(1.0_dp + kmesh_tol)) T…
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | stockholder.cpp | 68 double shell_dist=norm(shell_center-grid[irad][ip]); in compute() local
71 if(shell_dist<shran[ish]) { in compute()
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | stockholder.cpp | 68 double shell_dist=norm(shell_center-grid[irad][ip]); in compute() local
71 if(shell_dist<shran[ish]) { in compute()
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| /dports/science/wannier90/wannier90-3.1.0/src/ |
| H A D | kmesh.F90 | 856 subroutine kmesh_get_bvectors(multi, kpt, shell_dist, bvector) argument
867 real(kind=dp), intent(in) :: shell_dist ! the bvectors local
885 …if ((dist .ge. shell_dist*(1.0_dp - kmesh_tol)) .and. dist .le. shell_dist*(1.0_dp + kmesh_tol)) t…
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