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Hi,
I recently doing a research using several descriptors such as ACSF and SOAP to predict H adsorption energy on Pt clusters. Your work are impressive and excellent and I've been inspired by your …
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In the previous version (qml) this function was used to generate fchl19 representations:
reps = np.array([qml.representations.generate_fchl_acsf(x.nuclear_charges, x.coordinates, pad=max_natoms,
…
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It would be great to have some acsf-tools-files-dump and acsf-tools-files-restore commands with some options like --scheme=private,public and similar options than acsf-tools-dump / acsf-tools-restore.…
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I am looking to see if these tools can help me create drush aliases for a few ACSF instances I have access to. Ideally I am after something self contained, that does not need to bootstrap drupal in or…
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Response headers for certain pages contain information about the IIS and ASP.NET versions used. NCI recommendations are to suppress version information in responses.
**Issue**
**URL:** `https://www-…
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Analyse currently govCMS ACSF environment and mirror configuration in default config.yml files
- OS (RHEL vs Ubuntu)
- php versions and modules
- max execution times/timeouts/php.ini settings
- databa…
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Due some recent change, `acsf-tools-dump` is automatically creating a folder yyyymmdd (20200722 for example) inside the given --result-folder (`drush acsf-tools-dump --result-folder=/backup` will stor…
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As of now the --concurrency-limit option is splitting the commands by chunks. However, it waits for all the processes in the chunk to complete before starting the next chunk. In case one site is slow …
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I try run my dataset,but it has son error. Could you help me?
C:\Users\lenovo\.conda\envs\pt\python.exe H:/00_Gao/ACSF/main_LOL.py
C:\Users\lenovo\.conda\envs\pt\lib\site-packages\torch\functional.p…
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On the 10.x-dev branch, the `acsf_tools_config.default.yml` file doesn't contain a `root_domain` key.
However, the code in `\Drush\Commands\acsf_tools\AcsfToolsUtils::getRestConfig()` is assuming it'…