schrodinger.application.jaguar.constants module¶
Constants used in unit conversion. Numerical values sourced from mmshare/python/modules/schrodinger/utils/units.py
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class
schrodinger.application.jaguar.constants.
FatalErrors
(value)[source]¶ Bases:
enum.IntEnum
These are error codes reported by Jaguar as “ERROR X: msg” in the .out file
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BAD_INTERNALS
= 1475¶
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SCF_MAX_ITERS
= 2256¶
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GEO_MAX_ITERS
= 7019¶
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IRC_IS_NOT_TS
= 7020¶
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OPT_STUCK
= 7021¶
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ZERO_NORM_TANGENT
= 7043¶
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