| /dports/science/octopus/octopus-10.5/src/main/ |
| H A D | run.F90 | 132 logical :: fromScratch local
178 call multisys_td_run(systems, fromScratch)
232 call ground_state_run(sys, fromScratch)
234 call unocc_run(sys, fromScratch)
236 call td_run(sys, fromScratch)
240 call static_pol_run(sys, fromScratch)
242 call em_resp_run(sys, fromScratch)
245 call vdW_run(sys, fromScratch)
247 call geom_opt_run(sys, fromScratch)
258 call casida_run(sys, fromScratch)
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/app/netschedule/test/ |
| H A D | netschedule_tests_pack_4_10.py | 128 self.fromScratch()
192 self.fromScratch()
231 self.fromScratch()
257 self.fromScratch()
283 self.fromScratch()
307 self.fromScratch()
333 self.fromScratch()
360 self.fromScratch()
391 self.fromScratch()
425 self.fromScratch()
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| H A D | netschedule_tests_pack_4_16.py | 34 self.fromScratch( 5 )
86 self.fromScratch( 5 )
136 self.fromScratch( 6 )
281 self.fromScratch()
303 self.fromScratch()
330 self.fromScratch()
483 self.fromScratch()
513 self.fromScratch()
951 self.fromScratch()
990 self.fromScratch()
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| H A D | netschedule_tests_pack_4_18.py | 38 self.fromScratch()
74 self.fromScratch()
106 self.fromScratch()
137 self.fromScratch()
169 self.fromScratch()
199 self.fromScratch()
231 self.fromScratch()
258 self.fromScratch()
285 self.fromScratch()
315 self.fromScratch()
[all …]
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| H A D | netschedule_tests_pack_4_19.py | 38 self.fromScratch()
78 self.fromScratch()
116 self.fromScratch()
170 self.fromScratch()
228 self.fromScratch()
254 self.fromScratch()
286 self.fromScratch()
324 self.fromScratch()
358 self.fromScratch()
407 self.fromScratch()
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| H A D | netschedule_tests_pack_4_17.py | 40 self.fromScratch( 1 )
86 self.fromScratch()
116 self.fromScratch( 3 )
155 self.fromScratch( 3 )
208 self.fromScratch( 3 )
1417 self.fromScratch()
1492 self.fromScratch()
1545 self.fromScratch()
1588 self.fromScratch()
1634 self.fromScratch()
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| H A D | netschedule_tests_pack_4_11.py | 37 self.fromScratch()
76 self.fromScratch()
115 self.fromScratch()
149 self.fromScratch()
196 self.fromScratch()
238 self.fromScratch()
290 self.fromScratch()
355 self.fromScratch()
427 self.fromScratch()
509 self.fromScratch()
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| H A D | netschedule_tests_pack_4_30.py | 34 self.fromScratch()
71 self.fromScratch()
104 self.fromScratch()
162 self.fromScratch()
220 self.fromScratch(1200)
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| H A D | netschedule_tests_pack_4_14.py | 31 self.fromScratch()
110 self.fromScratch()
165 self.fromScratch()
234 self.fromScratch()
287 self.fromScratch()
342 self.fromScratch( "505-1" )
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| H A D | netschedule_tests_pack_4_13.py | 32 self.fromScratch( 4 )
74 self.fromScratch( 4 )
|
| /dports/science/octopus/octopus-10.5/share/util/ |
| H A D | oct-run_periodic_table | 15 fromScratch="yes"
29 -r do a restart, i.e. do not use fromScratch=yes
51 r) fromScratch="no" ;;
96 fromScratch = $fromScratch
|
| /dports/science/octopus/octopus-10.5/src/scf/ |
| H A D | ground_state.F90 | 65 subroutine ground_state_run(sys, fromScratch) argument
67 logical, intent(inout) :: fromScratch local
103 if(.not. fromScratch) then
116 fromScratch = .true.
126 if (fromScratch .and. sys%ks%theory_level /= RDMFT) then
144 call rdmft_init(rdm, sys%namespace, sys%gr, sys%st, sys%geo, sys%mc, fromScratch)
148 if(.not. fromScratch) then
|
| /dports/emulators/qmc2/qmc2-0.195_4/qmc2/ |
| H A D | datinfodbmgr.h | 56 void importSoftwareInfo(QStringList pathList, bool fromScratch = true);
57 void importEmuInfo(QStringList pathList, bool fromScratch = true);
58 void importMachineInfo(QStringList pathList, QStringList emulatorList, bool fromScratch = true);
|
| /dports/emulators/qmc2/qmc2-0.195_4/qmc2/arcade/ |
| H A D | datinfodbmgr.h | 56 void importSoftwareInfo(QStringList pathList, bool fromScratch = true);
57 void importEmuInfo(QStringList pathList, bool fromScratch = true);
58 void importMachineInfo(QStringList pathList, QStringList emulatorList, bool fromScratch = true);
|
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/RMC/ |
| H A D | RMC.cpp | 39 …, psi, h, comm, "RMC"), prestepsVMC(-1), rescaleDrift("no"), beta(-1), beads(-1), fromScratch(true) in RMC()
149 if (prestepsVMC == -1 && fromScratch == true) in resetRun()
154 fromScratch = false; in resetRun()
196 if (prestepsVMC == -1 && fromScratch == true) in resetRun()
295 fromScratch = false; in resetRun()
|
| /dports/games/scummvm/scummvm-2.5.1/engines/saga2/ |
| H A D | dispnode.h | 115 void buildObjects(bool fromScratch);
116 void buildEffects(bool fromScratch);
|
| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test/thermo/ |
| H A D | phaseConstructors.cpp | 80 TEST(IonsFromNeutralConstructor, fromScratch) in TEST() argument
323 TEST(WaterSSTP, fromScratch) in TEST() argument
332 TEST(IdealMolalSoln, fromScratch) in TEST() argument
362 TEST(DebyeHuckel, fromScratch) in TEST() argument
423 TEST(MargulesVPSSTP, fromScratch) in TEST() argument
447 TEST(LatticeSolidPhase, fromScratch) in TEST() argument
490 TEST(IdealSolidSolnPhase, fromScratch) in TEST() argument
541 TEST(HMWSoln, fromScratch) in TEST() argument
674 TEST(PDSS_SSVol, fromScratch) in TEST() argument
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| /dports/science/octopus/octopus-10.5/src/td/ |
| H A D | td.F90 | 390 subroutine td_run(sys, fromScratch) argument
392 logical, intent(inout) :: fromScratch local
624 fromScratch = .false.
626 call ground_state_run(sys, fromScratch)
707 fromScratch = .true.
722 if (fromScratch) then
759 if(fromScratch) then
785 if(fromScratch) then
813 if(.not.fromScratch) then
957 subroutine multisys_td_run(systems, fromScratch) argument
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| /dports/science/octopus/octopus-10.5/src/sternheimer/ |
| H A D | vdw.F90 | 54 subroutine vdw_run(sys, fromScratch) argument
56 logical, intent(inout) :: fromScratch local
196 if(.not.fromScratch .and. file_exists) then
238 if (.not. fromScratch) then
|
| /dports/science/octopus/octopus-10.5/testsuite/functionals/ |
| H A D | 18-mgga.01-br89.inp | 2 fromScratch = yes
|
| /dports/science/octopus/octopus-10.5/testsuite/linear_response/ |
| H A D | 05-polarizability.01-gs.inp | 3 fromScratch = yes
|
| H A D | 02-h2o_pol_lr.01_h2o_gs.inp | 5 fromScratch = yes
|
| H A D | 02-h2o_pol_lr.02_h2o_dyn_pol.inp | 4 fromScratch = yes
|
| H A D | 06-vib_modes_fd.01-ground_state.inp | 4 fromScratch = yes
|
| /dports/science/octopus/octopus-10.5/testsuite/periodic_systems/ |
| H A D | 06-h2o_pol_lr.01_gs.inp | 2 fromScratch = yes
|