Add support for CSAS-Shift sequence (csas5-shift, csas6-shift)

.fz/calculators/Localhost_Scale-shift.json

@@ -0,0 +1,7 @@
+{
+    "uri": "sh://",
+    "n": 1,
+    "models": {
+        "Scale-shift": "bash .fz/calculators/Scale-shift.sh"
+    }
+}

.fz/calculators/Scale-shift.sh

@@ -0,0 +1,61 @@
+#!/bin/bash
+
+# Scale-shift calculator script
+# Compatible with fz framework
+
+# Check for SCALE installation
+if [ -z "$SCALE_HOME" ]; then
+    export SCALE_HOME="/SCALE/scale6.2"
+fi
+export CMDS=${SCALE_HOME}/bin
+
+# if directory as input, cd into it
+if [ -d "$1" ]; then
+  cd "$1"
+  # Find the first input file (not .out or .msg)
+  input=$(ls | grep -v '\.out$' | grep -v '\.msg$' | grep -v '\.sh$' | head -n 1)
+  if [ -z "$input" ]; then
+    echo "No input file found in directory. Exiting."
+    exit 1
+  fi
+  shift
+# if $1 is a file, use it
+elif [ -f "$1" ]; then
+  input="$1"
+  shift
+else
+  echo "Usage: $0 <input_file or input_directory>"
+  exit 2
+fi
+
+PID_FILE=$PWD/PID
+echo $$ >> $PID_FILE
+
+output="$(basename $input).out"
+msgs="$(basename $input).msg"
+
+${CMDS}/scalerte $input $output > $msgs 2>&1 &
+
+PID_SCALE=$!
+echo $PID_SCALE >> $PID_FILE
+wait $PID_SCALE
+
+# test for "congratulations" message in output for csas5-shift/csas6-shift
+if [[ (`grep -E "=csas[56]-shift" $input 2>/dev/null | wc -l` == "1" ) ]]
+then
+    echo "Testing congratulations..."
+    if [ `grep "Congratulations" *.out 2>/dev/null | wc -l` == "0" ]
+    then
+        echo "Error: no congratulations !"
+        if [ -f $PID_FILE ]; then
+            rm -f $PID_FILE
+        fi
+        exit 1
+    else
+        echo "OK: Congratulations returned."
+    fi
+fi
+
+if [ -f $PID_FILE ]; then
+    rm -f $PID_FILE
+fi

.fz/models/Scale-shift.json

@@ -0,0 +1,17 @@
+{
+    "id": "Scale-shift",
+    "varprefix": "&",
+    "formulaprefix": "@",
+    "delim": "()",
+    "commentline": "'",
+    "output": {
+        "mean_keff": "grep 'best estimate system k-eff' *.out | head -1 | awk '{for(i=1;i<=NF;i++) if($i==\"k-eff\") print $(i+1)}' 2>/dev/null || echo 1.0",
+        "sigma_keff": "grep 'best estimate system k-eff' *.out | head -1 | awk '{for(i=1;i<=NF;i++) if($i==\"-\") print $(i+1)}' 2>/dev/null || echo 0.001",
+        "mean_E_lethargy": "grep 'Energy of average lethargy of Fission' *.out | head -1 | awk '{print $7}' 2>/dev/null || echo 100",
+        "sigma_E_lethargy": "grep 'Energy of average lethargy of Fission' *.out | head -1 | awk '{print $10}' 2>/dev/null || echo 10",
+        "mean_nubar": "grep 'system nu bar' *.out | head -1 | awk '{print $4}' 2>/dev/null || echo 1.0",
+        "sigma_nubar": "grep 'system nu bar' *.out | head -1 | awk '{print $7}' 2>/dev/null || echo 0.001",
+        "mean_free_path": "grep 'system mean free path' *.out | head -1 | awk '{print $5}' 2>/dev/null || echo 1.0",
+        "sigma_free_path": "grep 'system mean free path' *.out | head -1 | awk '{print $8}' 2>/dev/null || echo 0.001"
+    }
+}

CHANGELOG.md

@@ -2,6 +2,17 @@
 
 All notable changes to the fz-scale plugin will be documented in this file.
 
+## [Unreleased]
+
+### Added
+- Support for CSAS-Shift sequence (csas5-shift, csas6-shift)
+  - Scale-shift.json model definition for Shift Monte Carlo solver
+  - Scale-shift.sh calculator script for executing CSAS-Shift calculations
+  - Localhost_Scale-shift.json calculator configuration
+  - Godiva example input file using csas6-shift
+  - Documentation and usage examples for CSAS-Shift in README.md
+- Enhanced test suite to validate Scale-shift model and calculator
+
 ## [1.0.0] - 2025-01-13
 
 ### Added

README.md

@@ -2,8 +2,9 @@
 
 A [Funz](https://github.com/Funz/fz) plugin for running SCALE (Standardized Computer Analyses for Licensing Evaluation) calculations.
 
-This plugin provides support for three SCALE calculation types:
+This plugin provides support for four SCALE calculation types:
 - **Scale-keno**: KENO criticality calculations (=csas5, =csas6)
+- **Scale-shift**: CSAS-Shift criticality calculations with Shift Monte Carlo solver (=csas5-shift, =csas6-shift)
 - **Scale-tsunami**: TSUNAMI sensitivity/uncertainty analysis (=tsunami-3d)
 - **Scale-xsdrnpm**: XSDRNPM transport calculations (=xsdrnpm, =csas1x)
 
@@ -22,6 +23,13 @@ This plugin provides support for three SCALE calculation types:
 - `mean_nubar`, `sigma_nubar`: Average neutrons per fission
 - `mean_free_path`, `sigma_free_path`: System mean free path
 
+#### Scale-shift
+Same output variables as Scale-keno:
+- `mean_keff`, `sigma_keff`: Effective multiplication factor and uncertainty
+- `mean_E_lethargy`, `sigma_E_lethargy`: Energy of average lethargy of fission
+- `mean_nubar`, `sigma_nubar`: Average neutrons per fission
+- `mean_free_path`, `sigma_free_path`: System mean free path
+
 #### Scale-tsunami
 All Scale-keno outputs plus sensitivity coefficients for various isotopes:
 - H-1, O-16, Al-27, Ti-48, Fe-56, C
@@ -55,6 +63,20 @@ results = fz.fzr(
     results_dir="godiva_results"
 )
 
+print(results[['r', 'mean_keff', 'sigma_keff']])
+
+# Example: CSAS-Shift calculation with varying sphere radius
+# Uses the Shift Monte Carlo solver for improved performance
+results = fz.fzr(
+    input_path="examples/Scale-shift/godiva.inp",
+    input_variables={
+        "r": [8.5, 8.6, 8.7, 8.741, 8.8, 8.9, 9.0]
+    },
+    model="Scale-shift",
+    calculators="Localhost_Scale-shift",
+    results_dir="godiva_shift_results"
+)
+
 print(results[['r', 'mean_keff', 'sigma_keff']])
 ```
 
@@ -63,18 +85,23 @@ print(results[['r', 'mean_keff', 'sigma_keff']])
 ```
 your_project/
 ├── examples/
-│   └── Scale-keno/
-│       └── godiva.inp          # Example KENO input file
+│   ├── Scale-keno/
+│   │   └── godiva.inp          # Example KENO input file
+│   └── Scale-shift/
+│       └── godiva.inp          # Example CSAS-Shift input file
 ├── .fz/
 │   ├── models/
 │   │   ├── Scale-keno.json
+│   │   ├── Scale-shift.json
 │   │   ├── Scale-tsunami.json
 │   │   └── Scale-xsdrnpm.json
 │   └── calculators/
 │       ├── Scale-keno.sh
+│       ├── Scale-shift.sh
 │       ├── Scale-tsunami.sh
 │       ├── Scale-xsdrnpm.sh
 │       ├── Localhost_Scale-keno.json
+│       ├── Localhost_Scale-shift.json
 │       ├── Localhost_Scale-tsunami.json
 │       └── Localhost_Scale-xsdrnpm.json
 └── results/                    # Generated by fz
@@ -108,6 +135,36 @@ In this example:
 - The comment character `'` is used for the header line
 - The calculation type is `=csas6` (KENO-VI)
 
+### CSAS-Shift Input File Example
+
+For CSAS-Shift calculations, simply use `=csas5-shift` or `=csas6-shift` instead of `=csas5` or `=csas6`:
+
+```
+'Input generated by GeeWiz SCALE 6.0.2
+=csas6-shift
+godiva
+ce_v7_endf
+read composition
+ uranium     1 den=18.742 1 293
+                                 92234 1.0202
+                                 92235 93.7112
+                                 92238 5.2686   end
+end composition
+read geometry
+global unit 1
+ sphere 10    &(r)
+ media 1 1 10
+ boundary 10
+end geometry
+end data
+end
+```
+
+The key difference:
+- `=csas6-shift` uses the Shift Monte Carlo solver instead of KENO
+- Improved performance and scalability, especially for parallel computations
+- Compatible with all KENO V.a and KENO-VI geometries
+
 ## Expected Output
 
 When running a parametric study, fz returns a pandas DataFrame:

examples/Scale-shift/godiva.inp

@@ -0,0 +1,18 @@
+'Input generated by GeeWiz SCALE 6.0.2 Compiled on February 18, 2009
+=csas6-shift
+godiva
+ce_v7_endf
+read composition
+ uranium     1 den=18.742 1 293
+                                 92234 1.0202
+                                 92235 93.7112
+                                 92238 5.2686   end
+end composition
+read geometry
+global unit 1
+ sphere 10    &(r)
+ media 1 1 10
+ boundary 10
+end geometry
+end data
+end

tests/test_plugin.py

@@ -23,7 +23,8 @@ def test_model_files():
     models = [
         ".fz/models/Scale-keno.json",
         ".fz/models/Scale-tsunami.json",
-        ".fz/models/Scale-xsdrnpm.json"
+        ".fz/models/Scale-xsdrnpm.json",
+        ".fz/models/Scale-shift.json"
     ]
 
     required_fields = ["id", "varprefix", "delim", "commentline", "output"]
@@ -57,7 +58,8 @@ def test_calculator_files():
     calculators = [
         ".fz/calculators/Localhost_Scale-keno.json",
         ".fz/calculators/Localhost_Scale-tsunami.json",
-        ".fz/calculators/Localhost_Scale-xsdrnpm.json"
+        ".fz/calculators/Localhost_Scale-xsdrnpm.json",
+        ".fz/calculators/Localhost_Scale-shift.json"
     ]
 
     for calc_file in calculators:
@@ -86,7 +88,8 @@ def test_calculator_scripts():
     scripts = [
         ".fz/calculators/Scale-keno.sh",
         ".fz/calculators/Scale-tsunami.sh",
-        ".fz/calculators/Scale-xsdrnpm.sh"
+        ".fz/calculators/Scale-xsdrnpm.sh",
+        ".fz/calculators/Scale-shift.sh"
     ]
 
     for script_file in scripts:
@@ -109,6 +112,7 @@ def test_example_files():
 
     examples = [
         "examples/Scale-keno/godiva.inp",
+        "examples/Scale-shift/godiva.inp",
         "examples/example_usage.py"
     ]