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Typos
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@ -232,7 +232,7 @@ def iterative_populate_file (filename: str, paths: dict, detailed_all: dict) ->
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for line in f_in :
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id = check_triggers(line, triggers)
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if id == 0:
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# special case for proper error handling when deallocting text groups
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# special case for proper error handling when deallocating text groups
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error_handler = ' if (rc != TREXIO_SUCCESS) return rc;\n'
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populated_line = iterative_replace_line(line, '$group$', detailed_all['groups'], add_line=error_handler)
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f_out.write(populated_line)
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15
trex.org
15
trex.org
@ -37,6 +37,8 @@ fetched using multiple function calls to perform I/O on buffers.
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For more information on how to read/write sparse data structures, see
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the [[./examples.html][examples]].
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For determinants, the ~special~ attribute is present in the type. This
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means that the source code is not produced by the generator, but hand-written.
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#+begin_src python :tangle trex.json :exports none
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{
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@ -678,11 +680,16 @@ prim_factor =
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in the memory.
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\[
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D_I = \alpha_1 \alpha_2 \ldots \alpha_{n\uparrow} \beta_1 \beta_2 \ldots \beta_{n\downarrow}
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D_I = \alpha_1 \alpha_2 \ldots \alpha_{n_\uparrow} \beta_1 \beta_2 \ldots \beta_{n_\downarrow}
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\]
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where $\alpha$ and $\beta$ denote $\uparrow$-spin and $\downarrow$-spin electrons, respectively,
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$n\uparrow$ and $n\downarrow$ correspond to ~electron.up_num~ and ~electron.dn_num~, respectively.
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where $\alpha$ and $\beta$ denote \uparrow-spin and \downarrow-spin electrons, respectively,
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$n_\uparrow$ and $n_\downarrow$ correspond to ~electron.up_num~ and ~electron.dn_num~, respectively.
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Note: the ~special~ attribute is present in the types, meaning that the source node is not
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produced by the code generator.
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An illustration on how to read determinants is presented in the [[./examples.html][examples]].
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#+NAME: determinant
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| Variable | Type | Dimensions | Description |
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@ -734,7 +741,7 @@ prim_factor =
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The reduced density matrices are defined in the basis of molecular
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orbitals.
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The $\uparrow$-spin and $\downarrow$-spin components of the one-body
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The \uparrow-spin and \downarrow-spin components of the one-body
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density matrix are given by
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\begin{eqnarray*}
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\gamma_{ij}^{\uparrow} &=& \langle \Psi | \hat{a}^{\dagger}_{j\alpha}\, \hat{a}_{i\alpha} | \Psi \rangle \\
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