CombiningParticlePotentialParsing
|
Last change
on this file since ff4fff9 was d93d2c, checked in by Frederik Heber <heber@…>, 10 years ago |
|
FIX: Long-range forces were not added onto atom's forces.
- this was with highest level forces obtained from fragmentation for the
short-range interactions but not for the long-range interactions.
- TESTS: added additional tests to Fragmentation AnalyseFragmentationResults
to compare long-range forces written to tremolo file in the same way as is
already done with short-range.
- TESTFIX: Needed to re-calculate all Fragment result files, did for
short-range and both long-range versions. Energies slightly changed and thus
also derived values.
|
-
Property mode
set to
100644
|
|
File size:
361 bytes
|
| Rev | Line | |
|---|
| [6531a7] | 1 | level times_total_walltime times_total_cputime times_gather_walltime times_gather_cputime
|
|---|
| [d93d2c] | 2 | 1 0.9602878094 0.959141 0.2651398182 0.263622
|
|---|
| 3 | 2 7.395871639 7.387874 1.433394909 1.432532
|
|---|
| 4 | 3 28.3257699 28.172404 4.151794672 4.151946
|
|---|
| 5 | 4 64.51546359 64.29898 8.94709754 8.948507
|
|---|
| 6 | 5 114.1473937 113.813134 13.35359049 13.358174
|
|---|
| 7 | 6 148.7052479 148.397479 17.10671544 17.113817
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
