File tree
67 files changed
+200
-332
lines changed- include/cando/chem
- src
- adapt
- chem
- geom
- kinematics
- units
Some content is hidden
Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.
67 files changed
+200
-332
lines changedLines changed: 14 additions & 15 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
521 | 521 |
| |
522 | 522 |
| |
523 | 523 |
| |
524 |
| - | |
525 |
| - | |
526 |
| - | |
527 |
| - | |
528 |
| - | |
529 |
| - | |
530 |
| - | |
531 |
| - | |
532 |
| - | |
533 |
| - | |
534 |
| - | |
535 |
| - | |
536 |
| - | |
537 |
| - | |
| 524 | + | |
| 525 | + | |
| 526 | + | |
| 527 | + | |
| 528 | + | |
| 529 | + | |
| 530 | + | |
| 531 | + | |
| 532 | + | |
| 533 | + | |
| 534 | + | |
| 535 | + | |
| 536 | + | |
538 | 537 |
| |
539 | 538 |
| |
540 |
| - | |
| 539 | + | |
541 | 540 |
| |
542 | 541 |
| |
543 | 542 |
| |
|
Lines changed: 3 additions & 3 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
114 | 114 |
| |
115 | 115 |
| |
116 | 116 |
| |
117 |
| - | |
| 117 | + | |
118 | 118 |
| |
119 | 119 |
| |
120 | 120 |
| |
| |||
1074 | 1074 |
| |
1075 | 1075 |
| |
1076 | 1076 |
| |
1077 |
| - | |
| 1077 | + | |
1078 | 1078 |
| |
1079 |
| - | |
| 1079 | + | |
1080 | 1080 |
| |
1081 | 1081 |
| |
1082 | 1082 |
| |
|
Lines changed: 7 additions & 7 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
118 | 118 |
| |
119 | 119 |
| |
120 | 120 |
| |
121 |
| - | |
122 |
| - | |
123 |
| - | |
124 |
| - | |
125 |
| - | |
126 |
| - | |
127 |
| - | |
| 121 | + | |
| 122 | + | |
| 123 | + | |
| 124 | + | |
| 125 | + | |
| 126 | + | |
| 127 | + | |
128 | 128 |
| |
129 | 129 |
| |
130 | 130 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
104 | 104 |
| |
105 | 105 |
| |
106 | 106 |
| |
107 |
| - | |
| 107 | + | |
108 | 108 |
| |
109 | 109 |
| |
110 | 110 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
116 | 116 |
| |
117 | 117 |
| |
118 | 118 |
| |
119 |
| - | |
| 119 | + | |
120 | 120 |
| |
121 | 121 |
| |
122 | 122 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
284 | 284 |
| |
285 | 285 |
| |
286 | 286 |
| |
287 |
| - | |
| 287 | + | |
288 | 288 |
| |
289 | 289 |
| |
290 | 290 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
154 | 154 |
| |
155 | 155 |
| |
156 | 156 |
| |
157 |
| - | |
| 157 | + | |
158 | 158 |
| |
159 | 159 |
| |
160 | 160 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
102 | 102 |
| |
103 | 103 |
| |
104 | 104 |
| |
105 |
| - | |
106 | 105 |
| |
107 | 106 |
| |
108 | 107 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
325 | 325 |
| |
326 | 326 |
| |
327 | 327 |
| |
328 |
| - | |
| 328 | + | |
329 | 329 |
| |
330 | 330 |
| |
331 | 331 |
| |
|
Lines changed: 1 addition & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
113 | 113 |
| |
114 | 114 |
| |
115 | 115 |
| |
116 |
| - | |
| 116 | + | |
117 | 117 |
| |
118 | 118 |
| |
119 | 119 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
49 | 49 |
| |
50 | 50 |
| |
51 | 51 |
| |
52 |
| - | |
53 | 52 |
| |
54 | 53 |
| |
55 | 54 |
| |
|
Lines changed: 0 additions & 2 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
45 | 45 |
| |
46 | 46 |
| |
47 | 47 |
| |
48 |
| - | |
49 | 48 |
| |
50 | 49 |
| |
51 |
| - | |
52 | 50 |
| |
53 | 51 |
| |
54 | 52 |
| |
|
Lines changed: 2 additions & 2 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
106 | 106 |
| |
107 | 107 |
| |
108 | 108 |
| |
109 |
| - | |
| 109 | + | |
110 | 110 |
| |
111 | 111 |
| |
112 | 112 |
| |
| |||
124 | 124 |
| |
125 | 125 |
| |
126 | 126 |
| |
127 |
| - | |
| 127 | + | |
128 | 128 |
| |
129 | 129 |
| |
130 | 130 |
| |
|
Lines changed: 0 additions & 4 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
202 | 202 |
| |
203 | 203 |
| |
204 | 204 |
| |
205 |
| - | |
206 | 205 |
| |
207 |
| - | |
208 |
| - | |
209 | 206 |
| |
210 | 207 |
| |
211 | 208 |
| |
| |||
222 | 219 |
| |
223 | 220 |
| |
224 | 221 |
| |
225 |
| - | |
226 | 222 |
| |
227 | 223 |
| |
228 | 224 |
| |
|
Lines changed: 0 additions & 2 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
566 | 566 |
| |
567 | 567 |
| |
568 | 568 |
| |
569 |
| - | |
570 | 569 |
| |
571 | 570 |
| |
572 | 571 |
| |
573 | 572 |
| |
574 | 573 |
| |
575 |
| - | |
576 | 574 |
| |
577 | 575 |
| |
578 | 576 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
1208 | 1208 |
| |
1209 | 1209 |
| |
1210 | 1210 |
| |
1211 |
| - | |
1212 | 1211 |
| |
1213 | 1212 |
| |
1214 | 1213 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
138 | 138 |
| |
139 | 139 |
| |
140 | 140 |
| |
141 |
| - | |
142 | 141 |
| |
143 | 142 |
| |
144 | 143 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
155 | 155 |
| |
156 | 156 |
| |
157 | 157 |
| |
158 |
| - | |
159 | 158 |
| |
160 | 159 |
| |
161 | 160 |
| |
|
Lines changed: 3 additions & 11 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
2269 | 2269 |
| |
2270 | 2270 |
| |
2271 | 2271 |
| |
2272 |
| - | |
2273 |
| - | |
2274 | 2272 |
| |
2275 | 2273 |
| |
2276 | 2274 |
| |
| |||
2306 | 2304 |
| |
2307 | 2305 |
| |
2308 | 2306 |
| |
2309 |
| - | |
2310 |
| - | |
2311 | 2307 |
| |
2312 | 2308 |
| |
2313 | 2309 |
| |
| |||
2353 | 2349 |
| |
2354 | 2350 |
| |
2355 | 2351 |
| |
2356 |
| - | |
2357 |
| - | |
2358 | 2352 |
| |
2359 | 2353 |
| |
2360 | 2354 |
| |
| |||
2831 | 2825 |
| |
2832 | 2826 |
| |
2833 | 2827 |
| |
2834 |
| - | |
2835 | 2828 |
| |
2836 | 2829 |
| |
2837 | 2830 |
| |
| |||
2840 | 2833 |
| |
2841 | 2834 |
| |
2842 | 2835 |
| |
2843 |
| - | |
2844 | 2836 |
| |
2845 | 2837 |
| |
2846 | 2838 |
| |
| |||
2854 | 2846 |
| |
2855 | 2847 |
| |
2856 | 2848 |
| |
2857 |
| - | |
| 2849 | + | |
2858 | 2850 |
| |
2859 | 2851 |
| |
2860 | 2852 |
| |
| |||
3241 | 3233 |
| |
3242 | 3234 |
| |
3243 | 3235 |
| |
3244 |
| - | |
3245 |
| - | |
| 3236 | + | |
| 3237 | + | |
3246 | 3238 |
| |
3247 | 3239 |
| |
3248 | 3240 |
| |
|
Lines changed: 0 additions & 2 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
520 | 520 |
| |
521 | 521 |
| |
522 | 522 |
| |
523 |
| - | |
524 | 523 |
| |
525 | 524 |
| |
526 |
| - | |
527 | 525 |
| |
528 | 526 |
| |
529 | 527 |
| |
|
Lines changed: 6 additions & 6 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
289 | 289 |
| |
290 | 290 |
| |
291 | 291 |
| |
292 |
| - | |
293 |
| - | |
294 |
| - | |
295 |
| - | |
296 |
| - | |
297 |
| - | |
| 292 | + | |
| 293 | + | |
| 294 | + | |
| 295 | + | |
| 296 | + | |
| 297 | + | |
298 | 298 |
| |
299 | 299 |
| |
300 | 300 |
| |
|
Lines changed: 0 additions & 2 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
107 | 107 |
| |
108 | 108 |
| |
109 | 109 |
| |
110 |
| - | |
111 | 110 |
| |
112 | 111 |
| |
113 | 112 |
| |
| |||
293 | 292 |
| |
294 | 293 |
| |
295 | 294 |
| |
296 |
| - | |
297 | 295 |
| |
298 | 296 |
| |
299 | 297 |
| |
|
Lines changed: 0 additions & 3 deletions
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
280 | 280 |
| |
281 | 281 |
| |
282 | 282 |
| |
283 |
| - | |
284 | 283 |
| |
285 | 284 |
| |
286 | 285 |
| |
| |||
853 | 852 |
| |
854 | 853 |
| |
855 | 854 |
| |
856 |
| - | |
857 |
| - | |
858 | 855 |
| |
859 | 856 |
| |
860 | 857 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
122 | 122 |
| |
123 | 123 |
| |
124 | 124 |
| |
125 |
| - | |
126 | 125 |
| |
127 | 126 |
| |
128 | 127 |
| |
|
Lines changed: 0 additions & 1 deletion
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
162 | 162 |
| |
163 | 163 |
| |
164 | 164 |
| |
165 |
| - | |
166 | 165 |
| |
167 | 166 |
| |
168 | 167 |
| |
|
0 commit comments