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[ewald.c] Fix malloc size 

Former-commit-id: a2da5e820d4835e1cf91ab308a63f0aedd431789
This commit is contained in:
Marek Nečada 2018-09-07 12:39:52 +00:00
parent fd6380a085
commit fcf836e62e
1 changed files with 2 additions and 2 deletions
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4
qpms/ewald.c
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@ -82,7 +82,7 @@ qpms_ewald32_constants_t *qpms_ewald32_constants_init(const qpms_l_t lMax /*, co
} }
c->s1_constfacs[0]; //WTF??? c->s1_constfacs[0]; //WTF???
c->s1_constfacs_base = malloc(c->nelem_sc * sizeof(complex double)); c->s1_constfacs_base = malloc(s1_constfacs_sz * sizeof(complex double));
size_t s1_constfacs_sz_cumsum = 0; size_t s1_constfacs_sz_cumsum = 0;
for (qpms_y_t y = 0; y < c->nelem_sc; ++y) { for (qpms_y_t y = 0; y < c->nelem_sc; ++y) {
qpms_l_t n; qpms_m_t m; qpms_y2mn_sc_p(y, &m, &n); qpms_l_t n; qpms_m_t m; qpms_y2mn_sc_p(y, &m, &n);
@ -99,7 +99,7 @@ qpms_ewald32_constants_t *qpms_ewald32_constants_init(const qpms_l_t lMax /*, co
* pow(0.5, 2*j-1); * pow(0.5, 2*j-1);
break; break;
case EWALD32_CONSTANTS_AGNOSTIC: case EWALD32_CONSTANTS_AGNOSTIC:
c->s1_constfacs[y][j] = -2 * ipow(n+1) * M_SQRTPI // FIXME: Valgrind invalid write c->s1_constfacs[y][j] = -2 * ipow(n+1) * M_SQRTPI
* factorial((n-m)/2) * factorial((n+m)/2) * factorial((n-m)/2) * factorial((n+m)/2)
* min1pow(j) * min1pow(j)
/ (factorial(j) * factorial((n-m)/2-j) * factorial((n+m)/2-j)); / (factorial(j) * factorial((n-m)/2-j) * factorial((n+m)/2-j));