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NWChem/src/xtb
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Daniel Mejia-Rodriguez 4d438b7fd9
LP64 fix
2022-04-28 10:50:12 -07:00
..
GNUmakefile Enable nvfortran support 2022-04-18 14:16:12 -04:00
xtb.fh moved integer size header 2022-04-27 22:31:47 -07:00
xtb_energy.F lp64 fixes. work on intel, not on gnu 2022-04-27 22:35:27 -07:00
xtb_energy_gradient.F lp64 fixes. work on intel, not on gnu 2022-04-27 22:35:27 -07:00
xtb_guess.F LP64 fix 2022-04-28 10:50:12 -07:00
xtb_input.F Correct spin unrestricted handling in xTB [ci skip] 2022-04-08 14:24:58 -04:00
xtb_print_param.F Update tblite version 2022-04-08 19:17:38 -04:00
xtb_rdinput.F Better xTB restart 2022-04-11 17:44:46 -04:00
xtb_restart_read.F Better xTB restart 2022-04-11 17:44:46 -04:00
xtb_restart_write.F Better xTB restart 2022-04-11 17:44:46 -04:00
xtb_spinpol.F Correct spin unrestricted handling in xTB [ci skip] 2022-04-08 14:24:58 -04:00