dlde Success Antechamber

Task Info

Created Time

12/23/2020 4:24:08 AM

Updated Time

12/23/2020 4:24:10 AM


Output Files


Output Message

Warning: the assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c Be cautious, use a large value of PSCUTOFF (>100) will significantly increase the computation time

Error Message