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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

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, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Add copy buttons to all
 blocks\n(function() {\n function addCopyButtons() {\n document.querySelectorAll('pre code').forEach(function(codeBlock) {\n if (codeBlock.parentElement.hasAttribute('data-copy-added')) return;\n codeBlock.parentElement.setAttribute('data-copy-added', 'true');\n \n var btn = document.createElement('button');\n btn.textContent = 'Copy';\n btn.style.cssText = 'position:absolute;top:4px;right:4px;padding:2px 8px;font-size:11px;background:#4ecdc4;border:none;border-radius:4px;color:#1a1a2e;cursor:pointer;opacity:0.7;transition:opacity 0.2s;';\n btn.onmouseover = function() { this.style.opacity = '1'; };\n btn.onmouseout = function() { this.style.opacity = '0.7'; };\n btn.onclick = function() {\n navigator.clipboard.writeText(codeBlock.textContent).then(function() {\n btn.textContent = 'Copied!';\n setTimeout(function() { btn.textContent = 'Copy'; }, 1500);\n });\n };\n codeBlock.parentElement.style.position = 'relative';\n codeBlock.parentElement.appendChild(btn);\n });\n }\n \n addCopyButtons();\n \n // Re-run on dynamic content\n var observer = new MutationObserver(addCopyButtons);\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Add Copy Buttons to Code Blocks");
}
} catch(__e) { console.warn('[Userscript:Add Copy Buttons to Code Blocks]', __e); }
})();
(function(){
try {
var __m = "github.com";
var __re = new RegExp('^' + "github\\.com" + '
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

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2 stars

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0 watching

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, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Force GitHub README to respect dark mode\n(function() {\n var style = document.createElement('style');\n style.textContent = '\n .markdown-body {\n color-scheme: dark light;\n }\n .markdown-body pre { background: #161b22 !important; }\n .markdown-body code { background: rgba(110, 118, 129, 0.4) !important; }\n .markdown-body table th, .markdown-body table td { border-color: #30363d !important; }\n .markdown-body img { background: #0d1117; }\n .markdown-body blockquote { border-left-color: #8b949e; }\n .markdown-body hr { border-color: #30363d; }\n ';\n document.head.appendChild(style);\n})();", "GitHub Dark Mode README Fix"); } } catch(__e) { console.warn('[Userscript:GitHub Dark Mode README Fix]', __e); } })(); (function(){ try { var __m = "*"; var __re = new RegExp('^' + ".*" + '
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

Stars

2 stars

Watchers

0 watching

Forks

Releases

Packages

Used by

Contributors

Languages

, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Highlight search terms from Google/DuckDuckGo/Bing referrer\n(function() {\n var ref = document.referrer;\n var terms = [];\n \n if (ref.includes('google.com') || ref.includes('duckduckgo.com') || ref.includes('bing.com')) {\n var url = new URL(ref);\n var q = url.searchParams.get('q') || url.searchParams.get('p');\n if (q) {\n terms = q.split(/\\s+/).filter(function(t) { return t.length > 2; });\n }\n }\n \n if (terms.length === 0) return;\n \n var style = document.createElement('style');\n style.textContent = '.userscript-highlight { background: #fbbf24; color: #1a1a2e; padding: 1px 3px; border-radius: 2px; }';\n document.head.appendChild(style);\n \n function highlight(node) {\n if (node.nodeType === 3) { // text node\n var text = node.textContent;\n var found = false;\n terms.forEach(function(term) {\n var regex = new RegExp('(' + term.replace(/[.*+?^${}()|[\\]\\\\]/g, '\\\\') + ')', 'gi');\n if (regex.test(text)) {\n found = true;\n var frag = document.createDocumentFragment();\n var parts = text.split(regex);\n parts.forEach(function(part, i) {\n if (i % 2 === 0) {\n frag.appendChild(document.createTextNode(part));\n } else {\n var span = document.createElement('span');\n span.className = 'userscript-highlight';\n span.textContent = part;\n frag.appendChild(span);\n }\n });\n node.parentNode.replaceChild(frag, node);\n }\n });\n } else if (node.nodeType === 1 && node.childNodes) { // element\n var skipTags = ['SCRIPT', 'STYLE', 'NOSCRIPT', 'TEXTAREA', 'INPUT', 'SELECT'];\n if (!skipTags.includes(node.tagName)) {\n Array.from(node.childNodes).forEach(highlight);\n }\n }\n }\n \n highlight(document.body);\n \n // Re-highlight on dynamic content\n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1 || node.nodeType === 3) highlight(node);\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Highlight Search Terms"); } } catch(__e) { console.warn('[Userscript:Highlight Search Terms]', __e); } })(); (function(){ try { var __m = "*"; var __re = new RegExp('^' + ".*" + '
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

Stars

2 stars

Watchers

0 watching

Forks

Releases

Packages

Used by

Contributors

Languages

, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Strip utm_, fbclid, gclid, etc. from all links on page\n(function() {\n var trackingParams = ['utm_source', 'utm_medium', 'utm_campaign', 'utm_term', 'utm_content',\n 'fbclid', 'gclid', 'dclid', 'msclkid', 'yclid',\n 'ref', 'ref_src', 'source', 'medium', 'campaign'];\n \n function cleanUrl(url) {\n try {\n var u = new URL(url, window.location.origin);\n var changed = false;\n trackingParams.forEach(function(p) {\n if (u.searchParams.has(p)) {\n u.searchParams.delete(p);\n changed = true;\n }\n });\n return changed ? u.toString() : url;\n } catch (e) {\n return url;\n }\n }\n \n function cleanLinks() {\n document.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n \n cleanLinks();\n \n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1) {\n if (node.tagName === 'A') cleanLinks();\n node.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Remove Tracking Parameters from Links"); } } catch(__e) { console.warn('[Userscript:Remove Tracking Parameters from Links]', __e); } })(); (function(){ try { var __m = "youtube.com"; var __re = new RegExp('^' + "youtube\\.com" + '
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

Stars

2 stars

Watchers

0 watching

Forks

Releases

Packages

Used by

Contributors

Languages

, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Auto-enable theater mode on YouTube\n(function() {\n function tryTheater() {\n var btn = document.querySelector('button[aria-label=\"Theater mode\"], ytd-player #player button[title=\"Theater mode\"]');\n if (btn && !btn.classList.contains('activated')) {\n btn.click();\n }\n }\n \n // Try immediately\n tryTheater();\n \n // Try after navigation (SPA)\n var lastUrl = location.href;\n setInterval(function() {\n if (location.href !== lastUrl) {\n lastUrl = location.href;\n setTimeout(tryTheater, 500);\n }\n }, 1000);\n \n // Also try on player load\n var observer = new MutationObserver(tryTheater);\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "YouTube Theater Mode Default"); } } catch(__e) { console.warn('[Userscript:YouTube Theater Mode Default]', __e); } })(); (function(){ try { var __m = "*"; var __re = new RegExp('^' + ".*" + '
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

Stars

2 stars

Watchers

0 watching

Forks

Releases

Packages

Used by

Contributors

Languages

, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Remove or un-stick sticky/fixed headers that block content\n(function() {\n function unstick() {\n document.querySelectorAll('header, nav, [role=\"banner\"], .header, .navbar, .sticky, .fixed-top, [style*=\"position: fixed\"], [style*=\"position:sticky\"]').forEach(function(el) {\n if (el.style.position === 'fixed' || el.style.position === 'sticky' || \n getComputedStyle(el).position === 'fixed' || getComputedStyle(el).position === 'sticky') {\n el.style.position = 'static';\n el.style.top = 'auto';\n el.style.zIndex = 'auto';\n }\n });\n }\n \n unstick();\n \n var observer = new MutationObserver(unstick);\n observer.observe(document.body, { childList: true, subtree: true, attributes: true, attributeFilter: ['style', 'class'] });\n})();", "Kill Sticky Headers"); } } catch(__e) { console.warn('[Userscript:Kill Sticky Headers]', __e); } })(); (function(){ try { var __m = "*"; var __re = new RegExp('^' + ".*" + '
Skip to content

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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

About

Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

Resources

Stars

2 stars

Watchers

0 watching

Forks

Releases

Packages

Used by

Contributors

Languages

, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Universal Dark Mode - works on any site\n(function() {\n var enabled = true;\n \n function applyDarkMode() {\n if (!enabled) return;\n \n // Create style element if it doesn't exist\n var style = document.getElementById('universal-dark-mode-style');\n if (!style) {\n style = document.createElement('style');\n style.id = 'universal-dark-mode-style';\n document.head.appendChild(style);\n }\n \n // Dark mode CSS - inverts colors but preserves images/video\n style.textContent = '\n /* Invert everything except media */\n html {\n filter: invert(1) hue-rotate(180deg) !important;\n background: #1a1a2e !important;\n }\n \n /* Restore images, videos, iframes, canvas */\n img, video, iframe, canvas, svg, picture, [style*=\"background-image\"] {\n filter: invert(1) hue-rotate(180deg) !important;\n }\n \n /* Preserve specific elements that should not be inverted */\n .no-dark-mode, .no-dark-mode *,\n [data-theme=\"light\"], [data-theme=\"light\"],\n .ace_editor, .ace_editor *,\n .CodeMirror, .CodeMirror *,\n .monaco-editor, .monaco-editor *,\n .markdown-body pre, .markdown-body pre *,\n .highlight, .highlight *,\n pre code, pre code * {\n filter: none !important;\n }\n \n /* Fix common UI elements */\n .modal, .popup, .dropdown-menu, .tooltip, .popover {\n filter: invert(1) hue-rotate(180deg) !important;\n background: #2d2d44 !important;\n border-color: #444 !important;\n }\n \n /* Scrollbars */\n ::-webkit-scrollbar { background: #1a1a2e !important; }\n ::-webkit-scrollbar-thumb { background: #444 !important; }\n ::-webkit-scrollbar-thumb:hover { background: #555 !important; }\n \n /* Selection */\n ::selection { background: #4ecdc4 !important; color: #1a1a2e !important; }\n ::-moz-selection { background: #4ecdc4 !important; color: #1a1a2e !important; }\n ';\n }\n \n function removeDarkMode() {\n var style = document.getElementById('universal-dark-mode-style');\n if (style) style.remove();\n }\n \n // Toggle with Alt+Shift+D\n document.addEventListener('keydown', function(e) {\n if (e.altKey && e.shiftKey && e.key === 'D') {\n e.preventDefault();\n enabled = !enabled;\n if (enabled) {\n applyDarkMode();\n console.log('[Universal Dark Mode] Enabled');\n } else {\n removeDarkMode();\n console.log('[Universal Dark Mode] Disabled');\n }\n }\n });\n \n // Apply on load\n applyDarkMode();\n \n // Re-apply on dynamic content\n var observer = new MutationObserver(function(mutations) {\n if (enabled && !document.getElementById('universal-dark-mode-style')) {\n applyDarkMode();\n }\n });\n observer.observe(document.head, { childList: true });\n \n console.log('[Universal Dark Mode] Loaded - Press Alt+Shift+D to toggle');\n})();", "Universal Dark Mode"); } } catch(__e) { console.warn('[Userscript:Universal Dark Mode]', __e); } })(); })();
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MStruct

MStruct is a free computer program for MicroStructure analysis from powder diffraction data.

Getting Started

Prerequisites

MStruct carries the rest of the dependencies so far. This might be changed in the future. Note also ScaLAPACK and MKL are missing a function we use.

Compiling and Installing

Detailed installation instrucrions for different systems (Linux, Windows and macOS) can be found on the documentation page.

Download this repository

git clone https://github.com/xray-group/mstruct.git

libMStruct or mstruct can be build using the following commands:

cd mstruct/libmstruct
scons -j4 libmstruct
scons -j4 mstruct

libMStruct, libObjCryst and mstruct can be installed as:

scons -j4 install prefix=~/.local

SConscript automatically determines your system default python version and builds libMStruct againts this python version. If you want to build libMStruct against different python version, you can use python-version=X.Y option for example:

scons -j4 --python-version=3.6 libmstruct

WARNING: You need Boost Python libraries to be built against the python version you want to use.

Using

If MStruct libraries and mstruct binary were installed in non-system destinations you may like to modify the environment in order to use MSTRUCT easily:

# let's assume an installation prefix $Pexport P=~/.local
# modify environment for using binary and python moduleexport PATH=$P/bin:$PATHexport LD_LIBRARY_PATH=$P/lib:$LD_LIBRARY_PATHexport PYTHONPATH=$P/lib/python2.7/site-packages:$PYTHONPATH# modify environment for compiling with libMStruct and libObjCrystexport CPPPATH=$P/include:$CPPPATHexport LIBRARY_PATH=$P/lib:$LIBRARY_PATH

Running program:

mstruct
Beginning program ....
job type (0-data refinement,1-grid refinement)

Using python module:

# pythonimportlibMstructasmst

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Software/library for MicroStructure analysis by powder diffraction (based on https://github.com/vincefn/objcryst)

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