From fd108d97d8880bc0a30a0152e994a0edc24d25ce Mon Sep 17 00:00:00 2001 From: Rafael Ravedutti Date: Thu, 22 Apr 2021 00:07:42 +0200 Subject: [PATCH] Fix problem when atoms_per_unit_cell is less or equal than 4 Signed-off-by: Rafael Ravedutti --- src/main-stub.c | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/main-stub.c b/src/main-stub.c index a71d90e..f9836b7 100644 --- a/src/main-stub.c +++ b/src/main-stub.c @@ -136,9 +136,9 @@ int main(int argc, const char *argv[]) { fmod = (fmod + 1) % 3; } - MD_FLOAT offset_x = (fac_x > 0) ? 1.0 / (fac_x - 1) : 0.0; - MD_FLOAT offset_y = (fac_y > 0) ? 1.0 / (fac_y - 1) : 0.0; - MD_FLOAT offset_z = (fac_z > 0) ? 1.0 / (fac_z - 1) : 0.0; + MD_FLOAT offset_x = (fac_x > 1) ? 1.0 / (fac_x - 1) : (int)fac_x; + MD_FLOAT offset_y = (fac_y > 1) ? 1.0 / (fac_y - 1) : (int)fac_y; + MD_FLOAT offset_z = (fac_z > 1) ? 1.0 / (fac_z - 1) : (int)fac_z; for(int ii = 0; ii < fac_x; ++ii) { for(int jj = 0; jj < fac_y; ++jj) { for(int kk = 0; kk < fac_z; ++kk) {