update lal_base_dpd for optional charged

This commit is contained in:
Eddy Barraud
2024-06-12 14:30:54 +02:00
parent e0c2009525
commit 7f1fbca66f
3 changed files with 6 additions and 4 deletions

View File

@ -53,7 +53,8 @@ class BaseDPD {
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen,
const void *pair_program, const char *k_name,
const int onetype=0, const int extra_fields=0);
const int onetype=0, const int extra_fields=0,
bool need_charges=false);
/// Estimate the overhead for GPU context changes and CPU driver
void estimate_gpu_overhead();