Save info
Several types of information, gathered during the run, are lost on exit. The SAVE key allows you to prevent the removal of such information.
SAVE info
info
A sequence of names separated by blanks or commas. save may occur any number of times in the input file.
save can also be used in the negative form:
NOSAVE info
The structure is similar:
info is a list of arguments and nosave may, like save, occur any number of times in the input file.
save and nosave turn save-info options on and off. A lists of the available options, with their default status.
| item | default | explanation |
| TAPE10 | no | File with numerical integration data: points and weights, values of functions (depends on direct-SCF options) and core densities and potentials. |
| TAPE11 | no | File with fit integrals. |
| TAPE13 | no | Check point file. This file is lost (by default) only upon normal program exit, i.e. a program-controlled termination (including a program-detected error condition leading to controlled exit). In all such cases all info on TAPE13 is also present on TAPE21. tape13 exists when the program crashes into a core dump for instance, in which case it is uncertain what the contents of TAPE21 will be. The save feature allows you to specify that TAPE13 is kept also upon normal exit. |
| TAPE14 | no | Scratch file with numerical integration data, mainly pertaining to individual fragments. |
| Timing | no | During an adf calculation the program gathers a large amount of timing information about the performance of different program parts. It can be printed, at various levels of detail, on standard output (key PRINT). It can also be stored on TAPE21, for later inspection, in a section Timing. |
| Table VII. Arguments for the keys save and nosave. | ||
