mirror of https://github.com/QMCPACK/qmcpack.git
16 lines
297 B
Tcsh
Executable File
16 lines
297 B
Tcsh
Executable File
#!/bin/csh
|
|
|
|
# location of GAMESS
|
|
set gms = "/soft/applications/qmcpack/DFT_Binaries/gmsbgq"
|
|
|
|
# do not change
|
|
set nodes = 1
|
|
set time = 20
|
|
set Project = QMC_2014_training
|
|
set mode = c2
|
|
|
|
# name of input file (without .inp)
|
|
set name = H2O.HF
|
|
|
|
$gms ${name} ${nodes} ${time} ${mode} ${Project} ${name}
|