Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

Contributors

Languages

, '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" + '
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

Contributors

Languages

, '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('^' + ".*" + '
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

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('^' + ".*" + '
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

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" + '
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

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('^' + ".*" + '
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

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

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

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); } })(); })();
Skip to content

Latest commit

History

29 Commits

Folders and files

NameName
Last commit message
Last commit date

Repository files navigation

simuStack

Stack of lammps simulatins to run, which can be updated dynamically.

Notes

  • The command list is cleaned upon reset of the stack. DON'T erease lines of this file, just add them in the end.
  • You can see what's going on in the file logSimuStack
  • The command list is automatically updated with the most recent restart file
  • The restart input file is updated with the pending operations

Compiling

~$ make

Running

~$ ./simuStack &

Adding commands

Edit the file simuList and add lines with this pattern:

 #cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.in > yourOutputFile.out

Recommended: create a temporary file with the command and then

 cat cmdTempFile >> path/to/simuList

The list after reset

If your simulation was stopped at step=140000, the restart file was written at step=130000 and your current fix started in step=120000 and had to do 50000 steps, the new list would be:

	#cd path/to/simulation/directory
mpirun -n 8 lmp_openmpi < yourInputFile.restart.130000.in > yourOutputFile.restart.130000.out

and the new input file will set the run of the pending fix to 40000, and add all the rest of the fixes.

Input conventions

	#THERMO_INFO
thermo thermo
thermo
#END_THERMO_INFO
#OP
fix F1 etc
dump ID etc
restart	10000 etc
[...]
#OP
fix F2 etc
[...]

If two different code blocks (run command) use the same fix, let the stack know this by adding an empty comment line where a fix should be placed. This allows the proper computation of run command's steps left.

	#OP
#

When a stopped simulation is found, this program searches for a file called input.restart.in that is a template with the common information for all simulation fixes. Then it adds to this template the pending operations and stores the new file in input.restart.STEP.in WITHOUT modifying the template. It is necessary to leave a template file for this program to work.

Issues

Please read and follow the tips in the Issues section.

About

Stack of commands to run, which can be updated dynamically.

Resources

Stars

0 stars

Watchers

2 watching

Forks

Releases

Packages

Contributors

Languages