log文件如下所示 ERROR on proc 0: Cannot open input script in.comp (../lammps.cpp:440)Last ...
if(!inputFile.open(QIODevice::WriteOnly|QIODevice::Text)){ QMessageBox::warning(this,FileError,Cannotopenfileforwriting.); return; } QTextStreamout(inputFile); outunitsreal\n; outatom_stylefull\n; outread_datadata.in\n; outpair_stylelj/cut10.0\n; outpair_coeff111.01.0\n; outfix1al...
input.h integrate.cpp integrate.h irregular.cpp irregular.h kspace.cpp kspace.h kspace_deprecated.cpp kspace_deprecated.h label_map.cpp label_map.h lammps.cpp lammps.h lammpsplugin.h lattice.cpp lattice.h library.cpp library.h lmpfftsettings.h lmppython.cpp lmppython.h lmprestart.h lmptype...
in.gREM: { folder: /project/rcc/trung/lammps-git/examples/PACKAGES/grem/lj-6rep, status: "failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:367).", walltime: -1 } in.adamantane_ionized.nve: { folder: /project/rcc/trung/lammps-git/examples...
The script allows the user to cre- ate single- and double-stranded DNA from an input file that specifies the sequence and requires an installation of numpy. The syntax is very straightforward, but the system size has to be specified in the following way: $> python generate.py ...
log文件如下所示 ERROR on proc 0: Cannot open input script in.comp (../lammps.cpp:440)Last ...
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Let us improve the input script and perform more advanced operations, such as specifying initial positions for the atoms and restarting the simulation from a previously saved configuration. \paragraph{Control the initial atom positions} Open the \flecmd{improved.min.lmp}, which was...
Let us improve the input script and perform more advanced operations, such as specifying initial positions for the atoms and restarting the simulation from a previously saved configuration. \paragraph{Control the initial atom positions} Open the \flecmd{improved.min.lmp}, which w...
350 - Cannot attempt to open a 2nd input script, when the original file is 351 - still being processed. 352 - 353 349 */ src/kspace.cpp +2-1 Original file line numberDiff line numberDiff line change @@ -473,7 +473,8 @@ void KSpace::modify_params(int narg, char **arg...