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removed pointer for type variable. #41
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@ -275,7 +275,7 @@ int64_t* qmckl_get_determinant_mo_index_list (const qmckl_context context) {
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called.
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#+begin_src c :comments org :tangle (eval h_func)
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qmckl_exit_code qmckl_set_determinant_type (const qmckl_context context, const char *t);
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qmckl_exit_code qmckl_set_determinant_type (const qmckl_context context, const char t);
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qmckl_exit_code qmckl_set_determinant_walk_num (const qmckl_context context, const int64_t walk_num);
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qmckl_exit_code qmckl_set_determinant_det_num (const qmckl_context context, const int64_t det_num);
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qmckl_exit_code qmckl_set_determinant_fermi_num (const qmckl_context context, const int64_t fermi_num);
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@ -414,7 +414,6 @@ qmckl_exit_code qmckl_finalize_determinant(qmckl_context context) {
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#+end_src
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** Fortran Interfaces
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** Test
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* Computation
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** Determinant matrix
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@ -78,10 +78,10 @@ int main() {
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The following arrays are stored in the context:
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|---------------------+--------------------+--------------------------------------------------------------|
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| ~type~ | | Gaussian (~'G'~) or Slater (~'S'~) |
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| ~mo_num~ | | Number of MOs |
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| ~coefficient~ | ~[mo_num, ao_num]~ | Orbital coefficients |
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|---------------+--------------------+------------------------------------|
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| ~type~ | | Gaussian (~'G'~) or Slater (~'S'~) |
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| ~mo_num~ | | Number of MOs |
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| ~coefficient~ | ~[mo_num, ao_num]~ | Orbital coefficients |
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Computed data:
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@ -1,15 +1,16 @@
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qmckl.org
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qmckl_error.org
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qmckl_ao.org
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qmckl_blas.org
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qmckl_context.org
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qmckl_determinant.org
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qmckl_distance.org
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qmckl_electron.org
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qmckl_error.org
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qmckl_jastrow.org
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qmckl_memory.org
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qmckl_mo.org
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qmckl_numprec.org
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qmckl_nucleus.org
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qmckl_electron.org
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qmckl_ao.org
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qmckl_mo.org
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qmckl_jastrow.org
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qmckl_sherman_morrison_woodbury.org
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qmckl_distance.org
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qmckl_utils.org
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qmckl_blas.org
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qmckl_tests.org
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qmckl_utils.org
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