/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | cpmd_qmmm_start.F | 146 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local 147 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 351 Tr_init = control_Nose_Tr() 531 write(6,1298) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cprmdv1.F | 161 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 162 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 412 Tr_init = control_Nose_Tr() 621 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cpmd_qmmm_stop.F | 139 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local 140 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
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H A D | cpmdv5.F | 168 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local 169 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 456 Tr_init = control_Nose_Tr() 707 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | cpmd_qmmm_start.F | 146 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 147 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 351 Tr_init = control_Nose_Tr() 531 write(6,1298) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cprmdv1.F | 161 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 162 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 412 Tr_init = control_Nose_Tr() 621 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cpmdv5.F | 165 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 166 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 440 Tr_init = control_Nose_Tr() 689 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cpmd_qmmm_stop.F | 139 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 140 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | mmmdv1.F | 148 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 153 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 261 Tr_init = control_Nose_Tr() 383 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cgmdv5.F | 170 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr local 175 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 379 Tr_init = control_Nose_Tr() 600 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | mmmdv1.F | 148 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 153 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 256 Tr_init = control_Nose_Tr() 378 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
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H A D | cgmdv5.F | 170 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 175 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr 375 Tr_init = control_Nose_Tr() 626 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/thermostats/ |
H A D | nose-hoover.F | 40 real*8 control_Nose_Tr 48 external control_Nose_Tr 57 Tr = control_Nose_Tr()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/thermostats/ |
H A D | nose-hoover.F | 40 real*8 control_Nose_Tr 48 external control_Nose_Tr 57 Tr = control_Nose_Tr()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/thermostats/ |
H A D | nose-hoover.F | 40 real*8 control_Nose_Tr 48 external control_Nose_Tr 57 Tr = control_Nose_Tr()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/thermostats/ |
H A D | nose-hoover.F | 40 real*8 control_Nose_Tr 48 external control_Nose_Tr 57 Tr = control_Nose_Tr()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/MetaDynamics/ |
H A D | metadynamics.F | 33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr 37 external lattice_unita,ion_Temperature,control_Nose_Tr 263 temp = control_Nose_Tr() 612 real*8 control_Nose_Tr,ion_Temperature 613 external control_Nose_Tr,ion_Temperature 635 temp = control_Nose_Tr() 1865 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature 1866 external nwpw_interp,control_Nose_Tr,ion_Temperature 1876 temp = control_Nose_Tr()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/MetaDynamics/ |
H A D | metadynamics.F | 33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr 37 external lattice_unita,ion_Temperature,control_Nose_Tr 263 temp = control_Nose_Tr() 612 real*8 control_Nose_Tr,ion_Temperature 613 external control_Nose_Tr,ion_Temperature 635 temp = control_Nose_Tr() 1865 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature 1866 external nwpw_interp,control_Nose_Tr,ion_Temperature 1876 temp = control_Nose_Tr()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/ |
H A D | paw_cpmd.F | 277 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local 278 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 577 Tr_init = control_Nose_Tr() 734 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/cpsd/ |
H A D | paw_cpmd.F | 277 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 278 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 577 Tr_init = control_Nose_Tr() 734 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/ |
H A D | band_cpmd.F | 173 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 174 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 442 Tr_init = control_Nose_Tr() 677 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/ |
H A D | band_cpmd.F | 173 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 174 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 441 Tr_init = control_Nose_Tr() 676 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/TAMD/ |
H A D | tamd.F | 33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr 38 external lattice_unita,ion_Temperature,control_Nose_Tr 263 temp = control_Nose_Tr() 694 real*8 control_Nose_Tr,ion_Temperature 695 external control_Nose_Tr,ion_Temperature 717 temp = control_Nose_Tr() 1915 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature 1916 external nwpw_interp,control_Nose_Tr,ion_Temperature 1926 temp = control_Nose_Tr()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/TAMD/ |
H A D | tamd.F | 33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr 38 external lattice_unita,ion_Temperature,control_Nose_Tr 263 temp = control_Nose_Tr() 694 real*8 control_Nose_Tr,ion_Temperature 695 external control_Nose_Tr,ion_Temperature 717 temp = control_Nose_Tr() 1915 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature 1916 external nwpw_interp,control_Nose_Tr,ion_Temperature 1926 temp = control_Nose_Tr()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/control/ |
H A D | control.F | 3456 real*8 function control_Nose_Tr() 3465 control_Nose_Tr = Tr
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