root/samples

Name Size Rev Age Last Change
../
adf-gapc.scheme 2.3 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
adf-randomdock.scheme 2.1 kB 534f88acecc3cab896a066e6df24246c4c70ab68 14 months David C. Lonie <loniedavid@…>: Fix adf randomdock scheme.
castep-xtalopt.scheme 2.5 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
example-mopac.scheme 354 bytes a400ed8a0b0f680771b1d607ff822f898e173940 5 weeks David C. Lonie <loniedavid@…>: Added an example extension.
gamess-randomdock.scheme 2.4 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
gulp-Ar-gapc.scheme 445 bytes f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
gulp-ArNe-gapc.scheme 0.7 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
gulp-TiO-xtalopt.scheme 0.6 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
gulp-urea.scheme 5.8 kB 5daf8ccce874f9f1bc6553c855fd5e3d41b1760a 5 weeks David C. Lonie <loniedavid@…>: Added a molecular xtal scheme for GULP with parameters for urea.
pwscf-xtalopt.scheme 16.1 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
vasp-xtalopt.scheme 40.6 kB f7e7b950324126e33532e7e3119a797c492fbade 15 months David C. Lonie <loniedavid@…>: Updated sample scheme files to work with new queueinterface mechanism.
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