“Jishiben”的版本间的差异
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（建立内容为“http://bbs.keinsci.com/thread-16082-1-1.html”的新页面） |
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| （未显示同一用户的4个中间版本） | |||
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http://bbs.keinsci.com/thread-16082-1-1.html | http://bbs.keinsci.com/thread-16082-1-1.html | ||
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| + | AMIX = 0.2 | ||
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| + | BMIX = 0.0001 #almost zero, but 0 will crash some versions | ||
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| + | AMIX MAG = 0.8 | ||
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| + | BMIX MAG = 0.0001 #almost zero, but 0 will crash some versions | ||
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| + | LMAXMIN=4 | ||
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| + | https://www.jianshu.com/p/f37c1e8a438d | ||
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| + | docker build -f Dockerfile.prod_psmp --build-arg GIT_COMMIT_SHA=$(git rev-parse HEAD) -t cp2k_prod_psmp ../../ | ||
2022年5月19日 (四) 11:23的最新版本
http://bbs.keinsci.com/thread-16082-1-1.html
AMIX = 0.2
BMIX = 0.0001 #almost zero, but 0 will crash some versions
AMIX MAG = 0.8
BMIX MAG = 0.0001 #almost zero, but 0 will crash some versions
LMAXMIN=4
https://www.jianshu.com/p/f37c1e8a438d
docker build -f Dockerfile.prod_psmp --build-arg GIT_COMMIT_SHA=$(git rev-parse HEAD) -t cp2k_prod_psmp ../../