Name | Date | Size | #Lines | LOC | ||
---|---|---|---|---|---|---|
.. | 30-Sep-2021 | - | ||||
README | H A D | 30-Sep-2021 | 1 KiB | 24 | 19 | |
Si.sw | H A D | 30-Sep-2021 | 782 | 19 | 15 | |
final.sivac | H A D | 30-Sep-2021 | 212 | 9 | 8 | |
in.cg | H A D | 30-Sep-2021 | 769 | 46 | 31 | |
in.fire | H A D | 30-Sep-2021 | 771 | 46 | 31 | |
in.fire_mod | H A D | 30-Sep-2021 | 812 | 47 | 32 | |
in.fire_mod_old | H A D | 30-Sep-2021 | 977 | 49 | 34 | |
in.fire_old | H A D | 30-Sep-2021 | 775 | 46 | 31 | |
in.neb.sivac.fire | H A D | 30-Sep-2021 | 1.6 KiB | 79 | 52 | |
in.neb.sivac.fire_mod | H A D | 30-Sep-2021 | 1.7 KiB | 79 | 53 | |
in.neb.sivac.fire_mod_old | H A D | 30-Sep-2021 | 1.8 KiB | 81 | 55 | |
in.neb.sivac.fire_old | H A D | 30-Sep-2021 | 1.6 KiB | 79 | 52 | |
in.neb.sivac.qm | H A D | 30-Sep-2021 | 1.6 KiB | 79 | 52 | |
initial.sivac | H A D | 30-Sep-2021 | 77.1 KiB | 1,043 | 1,034 | |
log.09Janv20.cg.g++.1 | H A D | 30-Sep-2021 | 6 KiB | 156 | 132 | |
log.09Janv20.fire.g++.1 | H A D | 30-Sep-2021 | 7.3 KiB | 173 | 149 | |
log.09Janv20.fire_mod.g++.1 | H A D | 30-Sep-2021 | 6.5 KiB | 162 | 138 | |
log.09Janv20.fire_mod_old.g++.1 | H A D | 30-Sep-2021 | 20 KiB | 343 | 319 | |
log.09Janv20.fire_old.g++.1 | H A D | 30-Sep-2021 | 19.6 KiB | 339 | 315 | |
log.09Janv20.neb.fire.g++.4 | H A D | 30-Sep-2021 | 2.3 KiB | 16 | 15 | |
log.09Janv20.neb.fire.g++.8 | H A D | 30-Sep-2021 | 3 KiB | 15 | 14 | |
log.09Janv20.neb.fire_mod.g++.4 | H A D | 30-Sep-2021 | 1.9 KiB | 14 | 13 | |
log.09Janv20.neb.fire_mod.g++.8 | H A D | 30-Sep-2021 | 3 KiB | 15 | 14 | |
log.09Janv20.neb.fire_mod_old.g++.4 | H A D | 30-Sep-2021 | 4 KiB | 24 | 23 | |
log.09Janv20.neb.fire_mod_old.g++.8 | H A D | 30-Sep-2021 | 6.4 KiB | 26 | 25 | |
log.09Janv20.neb.fire_old.g++.4 | H A D | 30-Sep-2021 | 4 KiB | 24 | 23 | |
log.09Janv20.neb.fire_old.g++.8 | H A D | 30-Sep-2021 | 6.4 KiB | 26 | 25 | |
log.09Janv20.neb.qm.g++.4 | H A D | 30-Sep-2021 | 3 KiB | 19 | 18 | |
log.09Janv20.neb.qm.g++.8 | H A D | 30-Sep-2021 | 5.2 KiB | 22 | 21 |
README
1These examples are similar to those in the "min" and "neb" folders. 2Each example can be run with the following minimization style: 3- quickmin: qm 4- fire: fire 5- fire with optimized options: fire_mod 6- fire with min_modify options to 7 reproduce fire/old: fire_mod_old 8- fire/old (previous implementation): fire_old 9 10Run the NEB examples as: 11 12mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.qm 13mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire 14mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_mod 15mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_mod_old 16mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_old 17 18mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.qm 19mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire 20mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_mod 21mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_mod_old 22mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_old 23 24