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deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé


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    <subfield code="a">&lt;p&gt;Added&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;Command-line interface&lt;/li&gt;
&lt;/ul&gt;

&lt;p&gt;Changed&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;&lt;code&gt;PauliNet&lt;/code&gt;:

	&lt;ul&gt;
		&lt;li&gt;Nuclear and electronic cusp corrections on by default&lt;/li&gt;
		&lt;li&gt;&lt;code&gt;omni_kwargs&lt;/code&gt; accepted by &lt;code&gt;PauliNet()&lt;/code&gt; instead of &lt;code&gt;from_hf()&lt;/code&gt;&lt;/li&gt;
		&lt;li&gt;All keyword arguments to &lt;code&gt;from_hf()&lt;/code&gt; are passed to &lt;code&gt;PauliNet()&lt;/code&gt;&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
	&lt;li&gt;&lt;code&gt;Sampler&lt;/code&gt;:
	&lt;ul&gt;
		&lt;li&gt;&lt;code&gt;from_mf()&lt;/code&gt; changed to &lt;code&gt;from_wf()&lt;/code&gt;, doesn&amp;#39;t use PySCF object by default&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
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