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Fixed cppcheck in AOs

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This commit is contained in:
Anthony Scemama 2021-10-11 22:53:50 +02:00
parent 713008097a
commit ecfe58a966
1 changed files with 76 additions and 87 deletions
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33
org/qmckl_ao.org
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@ -1098,7 +1098,6 @@ qmckl_exit_code qmckl_set_ao_basis_prim_num(qmckl_context context, const int64_
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_nucleus_shell_num(qmckl_context context, const int64_t* nucleus_shell_num) { qmckl_exit_code qmckl_set_ao_basis_nucleus_shell_num(qmckl_context context, const int64_t* nucleus_shell_num) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 3; int32_t mask = 1 << 3;
@ -1112,7 +1111,7 @@ qmckl_exit_code qmckl_set_ao_basis_nucleus_shell_num(qmckl_context context, con
} }
if (ctx->ao_basis.nucleus_shell_num != NULL) { if (ctx->ao_basis.nucleus_shell_num != NULL) {
rc = qmckl_free(context, ctx->ao_basis.nucleus_shell_num); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.nucleus_shell_num);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_nucleus_shell_num", "qmckl_set_ao_basis_nucleus_shell_num",
@ -1142,7 +1141,6 @@ qmckl_exit_code qmckl_set_ao_basis_nucleus_shell_num(qmckl_context context, con
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_nucleus_index(qmckl_context context, const int64_t* nucleus_index) { qmckl_exit_code qmckl_set_ao_basis_nucleus_index(qmckl_context context, const int64_t* nucleus_index) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 4; int32_t mask = 1 << 4;
@ -1156,7 +1154,7 @@ qmckl_exit_code qmckl_set_ao_basis_nucleus_index(qmckl_context context, const i
} }
if (ctx->ao_basis.nucleus_index != NULL) { if (ctx->ao_basis.nucleus_index != NULL) {
rc = qmckl_free(context, ctx->ao_basis.nucleus_index); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.nucleus_index);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_nucleus_index", "qmckl_set_ao_basis_nucleus_index",
@ -1186,7 +1184,6 @@ qmckl_exit_code qmckl_set_ao_basis_nucleus_index(qmckl_context context, const i
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_shell_ang_mom(qmckl_context context, const int32_t* shell_ang_mom) { qmckl_exit_code qmckl_set_ao_basis_shell_ang_mom(qmckl_context context, const int32_t* shell_ang_mom) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 5; int32_t mask = 1 << 5;
@ -1200,7 +1197,7 @@ qmckl_exit_code qmckl_set_ao_basis_shell_ang_mom(qmckl_context context, const i
} }
if (ctx->ao_basis.shell_ang_mom != NULL) { if (ctx->ao_basis.shell_ang_mom != NULL) {
rc = qmckl_free(context, ctx->ao_basis.shell_ang_mom); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.shell_ang_mom);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_shell_ang_mom", "qmckl_set_ao_basis_shell_ang_mom",
@ -1231,7 +1228,6 @@ qmckl_exit_code qmckl_set_ao_basis_shell_ang_mom(qmckl_context context, const i
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_shell_prim_num(qmckl_context context, const int64_t* shell_prim_num) { qmckl_exit_code qmckl_set_ao_basis_shell_prim_num(qmckl_context context, const int64_t* shell_prim_num) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 6; int32_t mask = 1 << 6;
@ -1245,7 +1241,7 @@ qmckl_exit_code qmckl_set_ao_basis_shell_prim_num(qmckl_context context, const
} }
if (ctx->ao_basis.shell_prim_num != NULL) { if (ctx->ao_basis.shell_prim_num != NULL) {
rc = qmckl_free(context, ctx->ao_basis.shell_prim_num); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.shell_prim_num);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_shell_prim_num", "qmckl_set_ao_basis_shell_prim_num",
@ -1276,7 +1272,6 @@ qmckl_exit_code qmckl_set_ao_basis_shell_prim_num(qmckl_context context, const
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_shell_prim_index(qmckl_context context, const int64_t* shell_prim_index) { qmckl_exit_code qmckl_set_ao_basis_shell_prim_index(qmckl_context context, const int64_t* shell_prim_index) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 7; int32_t mask = 1 << 7;
@ -1290,7 +1285,7 @@ qmckl_exit_code qmckl_set_ao_basis_shell_prim_index(qmckl_context context, cons
} }
if (ctx->ao_basis.shell_prim_index != NULL) { if (ctx->ao_basis.shell_prim_index != NULL) {
rc = qmckl_free(context, ctx->ao_basis.shell_prim_index); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.shell_prim_index);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_shell_prim_index", "qmckl_set_ao_basis_shell_prim_index",
@ -1320,7 +1315,6 @@ qmckl_exit_code qmckl_set_ao_basis_shell_prim_index(qmckl_context context, cons
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_shell_factor(qmckl_context context, const double* shell_factor) { qmckl_exit_code qmckl_set_ao_basis_shell_factor(qmckl_context context, const double* shell_factor) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 8; int32_t mask = 1 << 8;
@ -1335,7 +1329,7 @@ qmckl_exit_code qmckl_set_ao_basis_shell_factor(qmckl_context context, const do
if (ctx->ao_basis.shell_factor != NULL) { if (ctx->ao_basis.shell_factor != NULL) {
rc = qmckl_free(context, ctx->ao_basis.shell_factor); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.shell_factor);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_shell_factor", "qmckl_set_ao_basis_shell_factor",
@ -1365,7 +1359,6 @@ qmckl_exit_code qmckl_set_ao_basis_shell_factor(qmckl_context context, const do
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_exponent(qmckl_context context, const double* exponent) { qmckl_exit_code qmckl_set_ao_basis_exponent(qmckl_context context, const double* exponent) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 9; int32_t mask = 1 << 9;
@ -1379,7 +1372,7 @@ qmckl_exit_code qmckl_set_ao_basis_exponent(qmckl_context context, const double
} }
if (ctx->ao_basis.exponent != NULL) { if (ctx->ao_basis.exponent != NULL) {
rc = qmckl_free(context, ctx->ao_basis.exponent); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.exponent);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_exponent", "qmckl_set_ao_basis_exponent",
@ -1409,7 +1402,6 @@ qmckl_exit_code qmckl_set_ao_basis_exponent(qmckl_context context, const double
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_coefficient(qmckl_context context, const double* coefficient) { qmckl_exit_code qmckl_set_ao_basis_coefficient(qmckl_context context, const double* coefficient) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 10; int32_t mask = 1 << 10;
@ -1423,7 +1415,7 @@ qmckl_exit_code qmckl_set_ao_basis_coefficient(qmckl_context context, const dou
} }
if (ctx->ao_basis.coefficient != NULL) { if (ctx->ao_basis.coefficient != NULL) {
rc = qmckl_free(context, ctx->ao_basis.coefficient); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.coefficient);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_coefficient", "qmckl_set_ao_basis_coefficient",
@ -1453,7 +1445,6 @@ qmckl_exit_code qmckl_set_ao_basis_coefficient(qmckl_context context, const dou
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_prim_factor(qmckl_context context, const double* prim_factor) { qmckl_exit_code qmckl_set_ao_basis_prim_factor(qmckl_context context, const double* prim_factor) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 11; int32_t mask = 1 << 11;
@ -1468,7 +1459,7 @@ qmckl_exit_code qmckl_set_ao_basis_prim_factor(qmckl_context context, const dou
if (ctx->ao_basis.prim_factor != NULL) { if (ctx->ao_basis.prim_factor != NULL) {
rc = qmckl_free(context, ctx->ao_basis.prim_factor); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.prim_factor);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_prim_factor", "qmckl_set_ao_basis_prim_factor",
@ -1531,7 +1522,6 @@ qmckl_exit_code qmckl_set_ao_basis_ao_num(qmckl_context context, const int64_t
#+begin_src c :comments org :tangle (eval c) :noweb yes :exports none #+begin_src c :comments org :tangle (eval c) :noweb yes :exports none
qmckl_exit_code qmckl_set_ao_basis_ao_factor(qmckl_context context, const double* ao_factor) { qmckl_exit_code qmckl_set_ao_basis_ao_factor(qmckl_context context, const double* ao_factor) {
<<pre2>> <<pre2>>
qmckl_exit_code rc = QMCKL_FAILURE;
int32_t mask = 1 << 13; int32_t mask = 1 << 13;
@ -1546,7 +1536,7 @@ qmckl_exit_code qmckl_set_ao_basis_ao_factor(qmckl_context context, const doubl
if (ctx->ao_basis.ao_factor != NULL) { if (ctx->ao_basis.ao_factor != NULL) {
rc = qmckl_free(context, ctx->ao_basis.ao_factor); qmckl_exit_code rc = qmckl_free(context, ctx->ao_basis.ao_factor);
if (rc != QMCKL_SUCCESS) { if (rc != QMCKL_SUCCESS) {
return qmckl_failwith( context, rc, return qmckl_failwith( context, rc,
"qmckl_set_ao_basis_ao_factor", "qmckl_set_ao_basis_ao_factor",
@ -1607,9 +1597,8 @@ qmckl_exit_code qmckl_finalize_basis(qmckl_context context) {
assert (ctx != NULL); assert (ctx != NULL);
int64_t nucl_num = 0; int64_t nucl_num = 0;
qmckl_exit_code rc = QMCKL_FAILURE;
rc = qmckl_get_nucleus_num(context, &nucl_num); qmckl_exit_code rc = qmckl_get_nucleus_num(context, &nucl_num);
if (rc != QMCKL_SUCCESS) return rc; if (rc != QMCKL_SUCCESS) return rc;
/* nucleus_prim_index */ /* nucleus_prim_index */