diff --git a/sparc/sparc_json_api/parameters.json b/sparc/sparc_json_api/parameters.json index 84f6866..9a68fe6 100644 --- a/sparc/sparc_json_api/parameters.json +++ b/sparc/sparc_json_api/parameters.json @@ -1,5 +1,5 @@ { - "sparc_version": "2024.12.10", + "sparc_version": "2024.12.11", "categories": [ "system", "scf", @@ -2500,19 +2500,19 @@ "remark_raw": "%\n%", "category": "mlff" }, - "MLFF_TOL_FORCE": { - "symbol": "{MLFF_TOL_FORCE", - "label": "MLFF_TOL_FORCE", - "type": "double", - "default": 5e-10, + "MLFF_SPLINE_NGRID": { + "symbol": "{MLFF_SPLINE_NGRID", + "label": "MLFF_SPLINE_NGRID", + "type": "integer", + "default": 100, "unit": "No unit", - "example": "MLFF_TOL_FORCE: 1e-10", - "description": "The initial value of \\sigma_\\rm tol.", - "remark": "", + "example": "MLFF_SPLINE_NGRID: 100", + "description": "Number of grid points to use for spline interpolation of hnl.", + "remark": "A larger number can result in better accuracy of MLFF forces.", "allow_bool_input": false, - "default_remark": "5e-10", - "description_raw": "The initial value of $\\sigma_{\\rm tol}$.", - "remark_raw": "%\n%", + "default_remark": "100", + "description_raw": "Number of grid points to use for spline interpolation of hnl.", + "remark_raw": "A larger number can result in better accuracy of MLFF forces.", "category": "mlff" }, "TWIST_ANGLE": {