charge pointer and corrections

2024-05-31 17:07:22 +02:00
parent fcdcf65995
commit 9b14a880dc
5 changed files with 90 additions and 28 deletions
--- a/lib/gpu/lal_dpd_charged_ext.cpp
+++ b/lib/gpu/lal_dpd_charged_ext.cpp
@ -17,12 +17,12 @@
 #include <cassert>
 #include <cmath>

-#include "lal_dpd.h"
+#include "lal_dpd_charged.h"

 using namespace std;
 using namespace LAMMPS_AL;

-static DPD<PRECISION,ACC_PRECISION> DPDCMF;
+static DPDCharged<PRECISION,ACC_PRECISION> DPDCMF;

 // ---------------------------------------------------------------------------
 // Allocate memory on host and device and copy constants to device