|
46 | 46 |
|
47 | 47 | def modify(system, k_hard=100, k_soft=5, optimise_angles=True, num_optimise=10): |
48 | 48 | """ |
49 | | - Apply Boresch modifications to ghost atom bonded terms to avoid non-physical |
| 49 | + Apply modifications to ghost atom bonded terms to avoid non-physical |
50 | 50 | coupling between the ghost atoms and the physical region. |
51 | 51 |
|
52 | 52 | Parameters |
@@ -286,7 +286,7 @@ def modify(system, k_hard=100, k_soft=5, optimise_angles=True, num_optimise=10): |
286 | 286 |
|
287 | 287 | def _terminal(mol, bridge, ghosts, physical, is_lambda1=False): |
288 | 288 | r""" |
289 | | - Apply Boresch modifications to a terminal junction. |
| 289 | + Apply modifications to a terminal junction. |
290 | 290 |
|
291 | 291 | An example terminal junction with three ghost branches. Here X is the |
292 | 292 | physical bridge atom. |
@@ -325,7 +325,7 @@ def _terminal(mol, bridge, ghosts, physical, is_lambda1=False): |
325 | 325 | """ |
326 | 326 |
|
327 | 327 | _logger.debug( |
328 | | - f"Applying Boresch modifications to terminal ghost junction at " |
| 328 | + f"Applying modifications to terminal ghost junction at " |
329 | 329 | f"{_lam_sym} = {int(is_lambda1)}:" |
330 | 330 | ) |
331 | 331 |
|
@@ -387,7 +387,7 @@ def _terminal(mol, bridge, ghosts, physical, is_lambda1=False): |
387 | 387 |
|
388 | 388 | def _dual(mol, bridge, ghosts, physical, k_hard=100, is_lambda1=False): |
389 | 389 | r""" |
390 | | - Apply Boresch modifications to a dual junction. |
| 390 | + Apply modifications to a dual junction. |
391 | 391 |
|
392 | 392 | An example dual junction with two ghost branches. Here X is the physical |
393 | 393 | bridge atom. |
@@ -430,7 +430,7 @@ def _dual(mol, bridge, ghosts, physical, k_hard=100, is_lambda1=False): |
430 | 430 | """ |
431 | 431 |
|
432 | 432 | _logger.debug( |
433 | | - f"Applying Boresch modifications to dual ghost junction at " |
| 433 | + f"Applying modifications to dual ghost junction at " |
434 | 434 | f"{_lam_sym} = {int(is_lambda1)}:" |
435 | 435 | ) |
436 | 436 |
|
@@ -610,7 +610,7 @@ def _triple( |
610 | 610 | is_lambda1=False, |
611 | 611 | ): |
612 | 612 | r""" |
613 | | - Apply Boresch modifications to a triple junction. |
| 613 | + Apply modifications to a triple junction. |
614 | 614 |
|
615 | 615 | An example triple junction. Here X is the physical bridge atom. |
616 | 616 |
|
@@ -664,7 +664,7 @@ def _triple( |
664 | 664 | """ |
665 | 665 |
|
666 | 666 | _logger.debug( |
667 | | - f"Applying Boresch modifications to triple ghost junction at " |
| 667 | + f"Applying modifications to triple ghost junction at " |
668 | 668 | f"{_lam_sym} = {int(is_lambda1)}:" |
669 | 669 | ) |
670 | 670 |
|
@@ -986,7 +986,7 @@ def _higher( |
986 | 986 | is_lambda1=False, |
987 | 987 | ): |
988 | 988 | r""" |
989 | | - Apply Boresch modifications to higher order junctions. |
| 989 | + Apply modifications to higher order junctions. |
990 | 990 |
|
991 | 991 | Parameters |
992 | 992 | ---------- |
@@ -1030,7 +1030,7 @@ def _higher( |
1030 | 1030 | """ |
1031 | 1031 |
|
1032 | 1032 | _logger.debug( |
1033 | | - f"Applying Boresch modifications to higher order junction at " |
| 1033 | + f"Applying modifications to higher order junction at " |
1034 | 1034 | f"{_lam_sym} = {int(is_lambda1)}:" |
1035 | 1035 | ) |
1036 | 1036 |
|
|
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