Chemistry codes added
Description
Description
Details
Details
- Committed
ddossant Jun 17 2015, 09:54 - Pushed
• rezzonico Jun 17 2016, 10:15 - Parents
- rSCEXAMPLES99a22c48a6f5: MPI and Matlab added
- Branches
- Unknown
- Tags
Chemistry codes added
Chemistry codes added
Authored by ddossant on Jun 17 2015, 09:54.
Changes (34)
Changes (34)
| Path | ||||
|---|---|---|---|---|
| A | (dir) | adf/ | ||
| A | adf/README | |||
| A | adf/job.adf.slurm | |||
| A | adf/test.inp | |||
| A | (dir) | amber/ | ||
| A | amber/AAAT.top | |||
| A | amber/AAAT_ini.rst | |||
| A | amber/README | |||
| A | amber/job.amber.slurm | |||
| A | amber/md.in | |||
| A | amber/mdinfo | |||
| A | (dir) | gaussian/ | ||
| A | gaussian/README | |||
| A | gaussian/job.gaussian.slurm | |||
| A | gaussian/test.inp | |||
| A | (dir) | gromacs/ | ||
| A | gromacs/README | |||
| A | gromacs/conf.gro | |||
| A | gromacs/grompp.mdp | |||
| A | gromacs/job.gromacs.slurm | |||
| A | gromacs/max-mpi-ranks | |||
| A | gromacs/mdout.mdp | |||
| A | gromacs/reference_d.edr | |||
| A | gromacs/reference_d.log | |||
| A | gromacs/reference_d.tpr | |||
| A | gromacs/reference_d.trr | |||
| P | gromacs/reference_d.warn Copied from Matlab/JobArray/inputs/test1/var1/file1 | |||
| A | gromacs/reference_s.edr | |||
| A | gromacs/reference_s.log | |||
| A | gromacs/reference_s.tpr | |||
| A | gromacs/reference_s.trr | |||
| P | gromacs/reference_s.warn Copied from Matlab/JobArray/inputs/test1/var1/file1 | |||
| A | gromacs/topol.top | |||
| A | gromacs/topol.tpr |
rSCEXAMPLES40f4c0b671dc
rSCEXAMPLES40f4c0b671dc
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