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test using Cast3M 2025
1 parent 2fbf56a commit c403874

3 files changed

Lines changed: 450 additions & 26 deletions

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.fz/calculators/Cast3m.sh

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#!/bin/bash
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# Cast3m calculator script for fz framework
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PATH="$PATH:/opt/CASTEM2025/bin"
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# Check if castem2000 or cast3m is available
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if command -v castem2000 &> /dev/null; then
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CAST3M_CMD="castem2000"
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# Check if castem25 or cast3m is available
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if command -v castem25 &> /dev/null; then
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CAST3M_CMD="castem25"
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elif command -v cast3m &> /dev/null; then
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CAST3M_CMD="cast3m"
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else
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echo "Error: Cast3m executable (castem2000 or cast3m) not found in PATH"
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echo "Error: Cast3m executable (castem25 or cast3m) not found in PATH"
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exit 1
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fi
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.gitignore

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# fz temporary files
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.fz/tmp/
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notebook_*
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compiled_*
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# Cast3m specific
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*.hermes
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*.sauve
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*.dgibi.bak
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castem.out
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*.trace
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# OS
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.DS_Store

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