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Started work on finalizing Jastrow. #22

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vijay gopal chilkuri 2021-06-24 17:09:39 +05:30
parent d487b5365f
commit 06ad700b29
1 changed files with 22 additions and 0 deletions
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22
org/qmckl_jastrow.org
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@ -609,6 +609,28 @@ qmckl_exit_code qmckl_set_jastrow_cord_vector(qmckl_context context, double cons
}
#+end_src
When the required information is completely entered, other data structures are
computed to accelerate the calculations. The intermediates factors
are precontracted using BLAS LEVEL 3 operations for an optimal FLOP count.
#+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none
qmckl_exit_code qmckl_finalize_jastrow(qmckl_context context);
#+end_src
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_finalize_jastrow(qmckl_context context) {
if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
return QMCKL_INVALID_CONTEXT;
}
qmckl_context_struct* const ctx = (qmckl_context_struct* const) context;
assert (ctx != NULL);
int64_t nucl_num = 0;
qmckl_exit_code rc = QMCKL_FAILURE;
}
#+end_src
* End of files :noexport: