Skip to content
This repository has been archived by the owner on Mar 3, 2024. It is now read-only.

Commit

Permalink
Merge pull request #39 from dptech-corp/feature/template_mode
Browse files Browse the repository at this point in the history 
Feature/template mode
  • Loading branch information
@ysyecust
ysyecust authored Feb 27, 2024
2 parents 4f04d4c + 01d0c6d commit 843eb28
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions unidock/src/cuda/kernel.h
View file
Original file line number Diff line number Diff line change
Expand Up @@ -135,7 +135,7 @@ struct MediumConfig {
static constexpr size_t MAX_NUM_OF_LIG_TORSION_ = 18;
static constexpr size_t MAX_NUM_OF_FLEX_TORSION_ = 1;
static constexpr size_t MAX_NUM_OF_RIGID_ = 12;
static constexpr size_t MAX_NUM_OF_ATOMS_ = 80;
static constexpr size_t MAX_NUM_OF_ATOMS_ = 100;
static constexpr size_t SIZE_OF_MOLEC_STRUC_ =
((3 + 4 + MAX_NUM_OF_LIG_TORSION_ + MAX_NUM_OF_FLEX_TORSION_ + 1) * sizeof(float));
static constexpr size_t SIZE_OF_CHANGE_STRUC_ =
Expand Down Expand Up @@ -171,7 +171,7 @@ struct LargeConfig {
static constexpr size_t MAX_NUM_OF_LIG_TORSION_ = 24;
static constexpr size_t MAX_NUM_OF_FLEX_TORSION_ = 1;
static constexpr size_t MAX_NUM_OF_RIGID_ = 14;
static constexpr size_t MAX_NUM_OF_ATOMS_ = 80;
static constexpr size_t MAX_NUM_OF_ATOMS_ = 100;
static constexpr size_t SIZE_OF_MOLEC_STRUC_ =
((3 + 4 + MAX_NUM_OF_LIG_TORSION_ + MAX_NUM_OF_FLEX_TORSION_ + 1) * sizeof(float));
static constexpr size_t SIZE_OF_CHANGE_STRUC_ =
Expand Down

0 comments on commit 843eb28

Please sign in to comment.