psiresp
v0.2
Contents:
Installation
Usage
Examples
Molecules
Charge constraints
Using PsiRESP on HPC
API
Important classes
Pre-configured classes
psiresp.configs.RespA1
psiresp.configs.RespA2
psiresp.configs.EspA1
psiresp.configs.EspA2
psiresp.configs.ATBResp
psiresp.configs.Resp2
Options for customizing RESP
Base and utility classes
References
psiresp
»
API
»
psiresp.configs.ATBResp
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psiresp.configs.ATBResp
pydantic
model
psiresp.configs.
ATBResp
[source]
ATB Resp config
Fields
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v: v0.2
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