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Fix Clang build

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This commit is contained in:
Anthony Scemama 2022-02-25 13:57:13 +01:00
parent 1a5b76157b
commit ff526a18cb
3 changed files with 22 additions and 17 deletions
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4
org/qmckl_ao.org
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@ -5062,8 +5062,8 @@ for (int32_t ldl=3 ; ldl<=5 ; ++ldl) {
for (int32_t k=0 ; k<5 ; ++k) {
for (int32_t l=0 ; l<n ; ++l) {
printf("VGL[%d][%d] = %e %e\n", k, l, VGL0[k][l], VGL1[k][l]);
assert( VGL0[k][l] == VGL1[k][l] );
printf("VGL[%d][%d] = %e %e %e\n", k, l, VGL0[k][l], VGL1[k][l], VGL0[k][l]-VGL1[k][l]);
assert( fabs(1.-(VGL0[k][l]+1.e-100)/(VGL1[k][l]+1.e-100)) < 1.e-15 );
}
}
}

4
org/qmckl_blas.org
View File

@ -46,7 +46,8 @@
#+begin_src c :comments link :tangle (eval c_test) :noweb yes
#include "qmckl.h"
#include "assert.h"
#include <stdio.h>
#include <assert.h>
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif
@ -1256,7 +1257,6 @@ print(C.T)
rc = qmckl_double_of_matrix(context, C, cnew, 15);
assert(rc == QMCKL_SUCCESS);
#include <stdio.h>
for (int i=0 ; i<15 ; ++i) {
printf("%f %f\n", cnew[i], c[i]);
assert (c[i] == cnew[i]);

31
org/qmckl_context.org
View File

@ -62,6 +62,7 @@ int main() {
#include <stdio.h>
#include <string.h>
#include <errno.h>
#include <pthread.h>
#include "qmckl.h"
#include "qmckl_context_private_type.h"
@ -69,6 +70,8 @@ int main() {
#+end_src
* Context handling
The context variable is a handle for the state of the library,
@ -185,9 +188,9 @@ qmckl_context qmckl_context_check(const qmckl_context context) {
should be updated in order to make deep copies.
When the electron coordinates have changed, the context is touched
using the following function.
using the following function.
#+begin_src c :comments org :tangle (eval h_func)
#+begin_src c :comments org :tangle (eval h_func)
qmckl_exit_code
qmckl_context_touch (const qmckl_context context);
#+end_src
@ -222,7 +225,7 @@ qmckl_context_touch(const qmckl_context context)
- A new context always has all its members initialized with a NULL value
# Header
#+begin_src c :comments org :tangle (eval h_func)
#+begin_src c :comments org :tangle (eval h_func)
qmckl_context qmckl_context_create();
#+end_src
@ -250,7 +253,9 @@ qmckl_context qmckl_context_create() {
rc = pthread_mutexattr_init(&attr);
assert (rc == 0);
#ifdef PTHREAD_MUTEX_RECURSIVE
(void) pthread_mutexattr_settype(&attr, PTHREAD_MUTEX_RECURSIVE);
#endif
rc = pthread_mutex_init ( &(ctx->mutex), &attr);
assert (rc == 0);
@ -261,30 +266,30 @@ qmckl_context qmckl_context_create() {
/* Initialize data */
{
ctx->tag = VALID_TAG;
const qmckl_context context = (const qmckl_context) ctx;
assert ( qmckl_context_check(context) != QMCKL_NULL_CONTEXT );
qmckl_exit_code rc;
ctx->numprec.precision = QMCKL_DEFAULT_PRECISION;
ctx->numprec.range = QMCKL_DEFAULT_RANGE;
rc = qmckl_init_point(context);
assert (rc == QMCKL_SUCCESS);
rc = qmckl_init_electron(context);
assert (rc == QMCKL_SUCCESS);
rc = qmckl_init_nucleus(context);
assert (rc == QMCKL_SUCCESS);
rc = qmckl_init_ao_basis(context);
assert (rc == QMCKL_SUCCESS);
rc = qmckl_init_mo_basis(context);
assert (rc == QMCKL_SUCCESS);
rc = qmckl_init_determinant(context);
assert (rc == QMCKL_SUCCESS);
}
@ -335,7 +340,7 @@ assert( qmckl_context_check(context) == context );
~lock_count~ attribute.
# Header
#+begin_src c :comments org :tangle (eval h_func)
#+begin_src c :comments org :tangle (eval h_func)
void qmckl_lock (qmckl_context context);
void qmckl_unlock(qmckl_context context);
#+end_src
@ -448,7 +453,7 @@ munit_assert_int64(qmckl_context_check(new_context), ==, new_context);
It frees the context, and returns the previous context.
# Header
#+begin_src c :comments org :tangle (eval h_func)
#+begin_src c :comments org :tangle (eval h_func)
qmckl_exit_code
qmckl_context_destroy (const qmckl_context context);
#+end_src