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ase:jacapo:jcl

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--- ase:jacapo:jcl [2019/05/22 14:51] – kimi
+++ ase:jacapo:jcl [2022/08/23 13:34] (現在) – 外部編集 127.0.0.1
@@ 行 13: / 行 13: @@
 quantities is here because of the ase interface.
+===== execute_external_dynamics =====
+  execute_external_dynamics(self, nc=None, txt=None, stoppfile='stop', stopprogram=None)
+Implementation of the stay alive functionality with socket communication between dacapo and python.
+Known limitations: It is not possible to start 2 independent Dacapo calculators from the same python process, since the python PID is used as identifier for the script[PID].py file.
+===== execute_parent_calculation =====
+  execute_parent_calculation(self)
+Implementation of an extra level of parallelization, where one jacapo calculator spawns several dacapo.run processes. This is used for NEBs parallelized over images.
+===== get_ascii_debug =====
+  get_ascii_debug(self)
+Return the debug settings in Dacapo
+<code>
+get_debug(self)
+Return the python logging level
+set_ascii_debug(self, level)
+set the debug level for Dacapo
+:Parameters:
+level : string
+one of 'Off', 'MediumLevel', 'HighLevel'
+set_debug(self, debug)
+set debug level for python logging
+debug should be an integer from 0-100 or one of the logging
+constants like logging.DEBUG, logging.WARN, etc...
+</code>

ase/jacapo/jcl.1558504292.txt.gz · 最終更新: 2022/08/23 13:34 (外部編集)