New SRTPSS keyword, documentation of SRTPSS input option + 3 updates closing 3 issues
- Defined SRTPSS combination keyword for .SRFUN, added info on SRTPSS, SRXTPSS, SRCTPSS in manual
- Increase _XOPEN_SOURCE from 500 to 600 a few places (quench warnings from MacOS Xcode). Closes issue #217 (closed)
- Quit nicely if user tries to allocate too much work space for 32 bit integers. Closes issue #17 (closed)
- Increase allowed line length in .mol input from 80 to 120;
- Allows longer lines for any bas= + ecp= + pol= input. Closes issue #21 (closed)