From 5a280e877f1ea9da7a94673c1be0e45d36528a14 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Wed, 6 Oct 2021 16:49:21 +0200 Subject: [PATCH] removed pointer for type variable. #41 --- org/qmckl_determinant.org | 3 +-- org/qmckl_mo.org | 8 ++++---- org/table_of_contents | 17 +++++++++-------- 3 files changed, 14 insertions(+), 14 deletions(-) diff --git a/org/qmckl_determinant.org b/org/qmckl_determinant.org index 91866b5..7415561 100644 --- a/org/qmckl_determinant.org +++ b/org/qmckl_determinant.org @@ -275,7 +275,7 @@ int64_t* qmckl_get_determinant_mo_index_list (const qmckl_context context) { called. #+begin_src c :comments org :tangle (eval h_func) -qmckl_exit_code qmckl_set_determinant_type (const qmckl_context context, const char *t); +qmckl_exit_code qmckl_set_determinant_type (const qmckl_context context, const char t); qmckl_exit_code qmckl_set_determinant_walk_num (const qmckl_context context, const int64_t walk_num); qmckl_exit_code qmckl_set_determinant_det_num (const qmckl_context context, const int64_t det_num); qmckl_exit_code qmckl_set_determinant_fermi_num (const qmckl_context context, const int64_t fermi_num); @@ -414,7 +414,6 @@ qmckl_exit_code qmckl_finalize_determinant(qmckl_context context) { #+end_src ** Fortran Interfaces - ** Test * Computation ** Determinant matrix diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index f521b4d..8fa209f 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -78,10 +78,10 @@ int main() { The following arrays are stored in the context: - |---------------------+--------------------+--------------------------------------------------------------| - | ~type~ | | Gaussian (~'G'~) or Slater (~'S'~) | - | ~mo_num~ | | Number of MOs | - | ~coefficient~ | ~[mo_num, ao_num]~ | Orbital coefficients | + |---------------+--------------------+------------------------------------| + | ~type~ | | Gaussian (~'G'~) or Slater (~'S'~) | + | ~mo_num~ | | Number of MOs | + | ~coefficient~ | ~[mo_num, ao_num]~ | Orbital coefficients | Computed data: diff --git a/org/table_of_contents b/org/table_of_contents index 4e0600c..55dd6b7 100644 --- a/org/table_of_contents +++ b/org/table_of_contents @@ -1,15 +1,16 @@ qmckl.org -qmckl_error.org +qmckl_ao.org +qmckl_blas.org qmckl_context.org +qmckl_determinant.org +qmckl_distance.org +qmckl_electron.org +qmckl_error.org +qmckl_jastrow.org qmckl_memory.org +qmckl_mo.org qmckl_numprec.org qmckl_nucleus.org -qmckl_electron.org -qmckl_ao.org -qmckl_mo.org -qmckl_jastrow.org qmckl_sherman_morrison_woodbury.org -qmckl_distance.org -qmckl_utils.org -qmckl_blas.org qmckl_tests.org +qmckl_utils.org