| 1 |
8 |
| 2 |
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| 3 |
EPC_GLA61.v.124 P EPC_GLA61 & EPC_GLA60.v.120 \ EPC_GLA60 x |
| 4 |
EPC_GLA59.v.112 $ P EPC_GLA59 @ P & EPC_GLA58.v.108 EPC_GLA58 & EPC_GLA57.v.104 p EPC_GLA57 & EPC_GLA56.v.100 8 | EPC_GLA56 EPC_STACK55.v_neg36 D EPC_STACK55 d x |
| 5 |
mainIOTABLES.54.v20 ( mainIOTABLES.54.v40 4 H 4 mainIOTABLES.54.v52 8
mainIOTABLES.54.v56 D mainIOTABLES.54.v68 l X mainIOTABLES.54.v88 d mainIOTABLES.54.v100 @ X h mainIOTABLES.54.v104 t mainIOTABLES.54.v116 |
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0 |
| 7 |
mainIOTABLES.54.v136 |
| 8 |
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mainIOTABLES.54.v148 |
| 10 |
mainIOTABLES.54.v152 \ t mainIOTABLES.54.v164 mainIOTABLES.54.v184 4 L mainIOTABLES.54.v196 mainIOTABLES.54.v200
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mainIOTABLES.54.v212 x
mainIOTABLES.54.v232
mainIOTABLES.54.v244 P h mainIOTABLES.54.v248 mainIOTABLES.54.v260 ( @ mainIOTABLES.54.v280 $ mainIOTABLES.54.v292 ( ! mainIOTABLES.54.v296 l 0 " mainIOTABLES.54.v304 4 # mainIOTABLES.54.v308 H < ` mainIOTABLES.54 $ & EPC_GLA53.v.96 X | L EPC_GLA53 t L % EPC_GLA52.v72 L & EPC_GLA52.v80 < L ' EPC_GLA52.v88 |
| 11 |
EPC_GLA52 ( & EPC_GLA51.v.68 l EPC_GLA51 ) p & mainSST.50.v 4 x mainSST.50 > * x & mainSST.49.v > @ >
l mainSST.49 \ l + & mainSST.48.v 4 mainSST.48 $ 4 , mainSST.47.v 0 mainSST.47 - & mainSST.46.v T mainSST.46 . & mainSST.45.v ` 8 mainSST.45 | ! / & mainSST.44.v ! ( ! h T mainSST.44 D T 0 & mainSST.43.v mainSST.43 1 & mainSST.42.v t $ mainSST.42 2 & mainSST.41.v < mainSST.41 3 & mainSST.40.v H t mainSST.40 d t 4 & mainSST.39.v < mainSST.39 , < 5 & mainSST.38.v L mainSST.38 6 ..1.mainLOCAL.STACK37.v_0 d 7 ..1.mainLOCAL.STACK37.v41 P ..1.mainLOCAL.STACK37 D P 8 main.n_args $! ..1.mainLOCAL.n_args.25 ! $! 9 main.my_args |! ! ..1.mainLOCAL.my_args.23 ! ! P : main.junk P" P ! " ..1.mainLOCAL.junk.19 " " x ; main.msg # x h" # ..1.mainLOCAL.msg.17 # # < < main.prog_name # < 8# |$ ..1.mainLOCAL.prog_name.15 d$ |$ = main.assign_positions $ $ \% ..1.mainLOCAL.assign_positions.13 L% \% > main.arg_error % $ 8& ..1.mainLOCAL.arg_error.11 $& 8& ? main.command_error & % ! ' ..1.mainLOCAL.command_error.9 ' ' @ main.param_error p' & " ' ..1.mainLOCAL.param_error.7 ' ' A main.open_file_error P( ' # ( ..1.mainLOCAL.open_file_error.5 ( ( B main.read_config_error 4) p( $ X) ..1.mainLOCAL.read_config_error.3 ) % DUMMY_MAIN_ENTRY_FORMALS..1 ) 2 l ? n d* m Hn \n ) n * ? B @'@ j @'@ D * B o o + x+ ? B 4'@@'@4'@i @'@Xc(@C + Bd* p q ,, , ? A @'@@'@@'@h @'@Lc(@B 8, , A$. B* lr lr , , |
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#> B @'@@'@@'@e @'@4c(@E p- B8, s t . - ? B @'@@'@@'@d @'@dc(@@ . . B0 @, . $. r s . . = |
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W? B @'@@'@@'@ @'@ A p- B+ <u <u P/ D/ 33s? B @'@@'@@'@b @'@ ? \/ Bp- u x / / ? B @'@@'@@'@a @'@pc(@> 0 B0 / . u u 0 0 L= B @'@@'@@'@ @'@ G \/ Bp- |
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3 B1 3 3 ? B @'@('@@'@\ ('@b(@9 3 Bt2 0 ؈ <4 04 ? B @'@('@@'@[ ('@b(@8 H4 B3 4 4 ? B ('@('@('@Z ('@b(@7 4 4 B7 A3 5 t5 G? B ('@('@('@U ('@ 5 5 BH4 T L 6 6 ? B ('@('@('@T ('@c(@4 8 B@6 (6 8 46 4 6 6 67< B ('@('@('@ ('@ J 5 B6 x7 `7 Ga>ͽB ('@('@('@ ('@b(@H 8 l7 ͽB@6 &@7 8 8 8 Ga> B ('@('@('@ ('@ I 6 BH4 l l 8 8 JU> B ('@('@('@ ('@ 6 5 B6 < L9 @9 ? B ('@('@('@S ('@b(@3 X9 B5 9 9 ? B ('@('@('@R ('@tb(@2 : 9 B< A8 p p : : G? B ('@('@('@M ('@ 0 : BX9 ,; ; ? B ('@('@('@L ('@c(@/ = BP; 8; 0= D; : ; ; 47< B ('@('@('@ ('@ M : B; T P < p< Ga>ͽB ('@('@('@ ('@\b(@K 0= |< ͽBP; &@< $= = Ga> B ('@('@('@ ('@ L ; BX9 М М = = JU> B ('@('@('@ ('@ 1 : B; \> P> ? B ('@('@('@K ('@8b(@. h> B: X T ? > ? B ('@('@('@J ('@,b(@- ? > BA A= ! Ԥ Ԥ ? ? G? B % ('@('@('@E ('@ + ? Bh> & <@ 0@ ? B & ('@('@('@D ('@c(@* & B B`@ H@ @B T@ ? % | | @ @ 37< B # ('@('@('@ ('@ P ? B@ # A A Ga>ͽB " ('@('@('@ ('@b(@N @B A ͽB`@ &@A " d 4B (B Ga> B ! ('@('@('@ ('@ O @ Bh> $ 4 4 B B IU> B $ ('@('@('@ ('@ , ? B@ ' \ lC `C ? B ' ('@('@('@C ('@a(@) ' xC B? ( D C ? B ( ('@('@('@B ('@a(@( ( D D BH AB ) 8 8 D D G? B 0 ('@('@('@: ('@ & D BxC 1 LE @E ? B 1 ('@('@('@9 ('@c(@% 1 I BpE XE H dE D 0 F E -= B . ('@('@('@ ('@c(@S D BF F <I / F F 8< B , ('@('@('@ ('@ V pE BF - PG 8G -= A + ('@('@('@ ('@ U <I DG AF B\G + G G Ga> B * ('@('@('@ ('@a(@Q H G BF AH * ȱ d H H Ga> B ) ('@('@('@ ('@ R \G BxC , 0I $I 4<=> B / ('@('@('@ ('@ ' D B\G . t t I I ; B - ('@('@('@ ('@ T pE BF 2 ` hJ \J ? B 2 ('@('@('@8 ('@a(@$ 2 tJ BD 3 K J ? B 3 ('@('@('@7 ( (@a(@# 3 K K B O AI 4 < < K K G? B ; ('@( (@('@/ ( (@ ! K BtJ < HL <L ? B < ('@((@('@. ((@ d(@ < P BlL TL O `L K ; L L -= B 9 ('@('@('@ ( (@c(@Y K BM M 8P : M M 8< B 7 ('@('@('@ ('@ \ lL BM 8 LN 4N -= A 6 ('@('@('@ ('@ [ 8P @N AM BXN 6 N N Ga> B 5 ('@('@('@ ( (@la(@W O N BM A O 5 ̿ h O O Ga> B 4 ('@('@('@ ('@ X XN BtJ 7 ,P P 4<=> B : ('@('@('@ ( (@ " K BXN 9 x x P P ; B 8 ('@('@('@ ('@ Z lL BM = dQ XQ ? B = ( (@((@( (@- ((@0a(@ = pQ BK > R Q ? B > ((@((@((@, ( (@$a(@ > R R BU AP ? d d R R G? B D ((@( (@((@& ( (@ R BpQ E DS 8S ? B E ((@( |
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(@ d(@ E hV B\S PS R D S S Ga> B C ((@((@((@ ( (@`(@] R BS C T |T Ga> B B ((@((@((@ ((@`(@^ \S BT B D $U U Ga> B A ((@((@((@ ((@ a(@_ S B0U A T U U Ga> B @ ((@((@((@ ((@ a(@` T BU @ \V PV Ga> B ? ((@((@((@ ((@ a 0U BpQ F V V ? B F ( (@( (@( (@$ ( (@`(@ F W BR G W W ? B G ( |
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(@((@( (@! ((@ HX BW J D X X ? B J ( (@((@( (@ ((@d(@ J Y BX X W I Y tY L= B H ( (@( (@( (@ ((@ b HX BW K L L (Z Z ? B K ((@((@((@ ((@`(@ K 4Z Z Bx[ @HX L Z Z 13s? B M ((@((@((@ ((@ Z BY N 4 `[ T[ ? B N ((@((@((@ ((@$d(@ N \ Bx[ l[ 4Z M | | \ [ L= B L ((@((@((@ ((@ c Z BY O \ \ ? B O ((@((@((@ ((@|`(@ O \ BZ P @] 4] ? B P ((@((@((@ ((@p`(@ P L] B\ Q ] ] ? HB Q ((@((@((@ ((@d`(@ Q ] ] HB8_ HB\ R ^ x^ > B S ((@((@((@ ((@ ^ BL] T H _ _ ? B T ((@((@((@ ((@0d(@ T _ B8_ ,_ ] S _ _ > B R ((@((@((@ ((@ d ^ BL] U p` X` ? HB U ((@( (@((@ ( (@@`(@ U |` d` HBa HB^ V H H a a > B W ( (@( (@((@ ( (@ a B_ X ` a a ? B X ((@( (@((@ ( (@<d(@
X \b Ba a |` W Pb Db > B V ((@((@((@ ( (@ e a B_ Y h h b b ? B Y ( (@( (@( (@ ( (@?(@ Y b Ba Z $ $ c |c ? B Z ( (@("(@( (@ (#(@?(@ Z c c Bd @\b [ 0d $d 13s? B \ ("(@(#(@( (@ (#(@ |
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<d Bb ] < d d ? B ] (!(@($(@(!(@
($(@Hd(@ ] e Bd d c \ 4 4 te he L= B [ ( (@(!(@( (@ (#(@ f <d Bb ^ f f ? B ^ (#(@(&(@(#(@ (*(@?(@ ^ (f f Bh A<d _ | | f f G? B b (((@()(@($(@ ()(@ j f Be c Tg Hg T? B c (%(@(*(@(%(@ (*(@Td(@i Li Blg `g (f a h g Ga> B ` (&(@(((@(&(@ (*(@?(@g h g Bf Ah ` h h Ga> B _ ($(@('(@($(@ ('(@ h lg Be b < < @i 4i /> B a ('(@(%(@('(@ (*(@ Li Blg d i i ? B d ()(@(+(@()(@ (+(@`d(@ d i Bf i h e t t j xj ? B e (*(@(,(@(*(@ (,(@?(@ e j BLi f k k ? B f (+(@(-(@(+(@ (-(@|?(@ f ,k Bi g k k ? B g (,(@(.(@(,(@ (.(@p?(@ g k Bj h T T Xl Ll ? B h (-(@(0(@(-(@ (0(@d?(@ h dl B,k i l ? B i (.(@ (.(@ X?(@ i k p l m m 4n l @m m l Tm m 8 argv l l m ,n P argc l l 1 l ? o ) d* o o |
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#> q 8, r B r |
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t . u B t ? x u \/ 1 Lv L= u t 0 Xv x 8 p % Lv xv w w ) Lv v pw w , Lv v Hw \w / Lv v w 4w 2 Lv v w 0 Lv h 1 Lv $ - Lv . Lv $ * Lv + Lv ' Lv w & Lv @ ( Lv # Lv w " Lv x $ Lv 3 Lv T1 x ? z u \/ x z = p 7 x x y y : x x y y > x y Hy |y A x y 4y ? x @ x < x hy ; x = x 8 x 9 x 5 x y 4 x 8# 6 x B x 1 z ? \| x 0 z H| @ p F z z | 4| J z z { { M z { { { P z { h{ |{ S z @{ T{ Q z R z $ N z O z K z L z H z { G z 8# I z D z | C z E z T z / | ? } z <1 | | |
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A p W | V | | U | 8# 1 | ? ~ \| <1 } } [ | } } Y | } X | Z | \ | / | ? ~ } 1 T~ ~ ` | h~ & _ | ~ ^ | / | ? \ ~ 1 T~ ] | 0 & / | ? $ ~ 1 f | & e | d | / | ? \ 1 x c | & / | ? $ 1 ` b | L a | h | x g | / | ? 1 p | H | ` n | T~ h m | o | l | Ђ ` j | i | k | 1 | ? 1 t | Ą w | h | z | @ T } | , { | | | x | y | u | v | r | q | 8# s | ~ | 1 | ? t2 l ԅ | | | | | 01 h ? 0 3 t C p h ԇ h h Ԇ d x h < P h ( h T h $ h h h h h h ! h h h X h h \/ ? ؈ |
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3 D p x Ĉ ! 1 ? 0 3 X | x ̉ x ( h < & / ? $ ؈ H4 ( & / ? H4 x D 4 ?# $ H4 B ` x6 G?" 4 T B ?! L 5 / Ga>$ 8 7 H $ 1 Ga>% 7 h ؍ @ T , Ȏ & / Ga>& 8 6 D X & / Ga>' 6 ؏ D D 4 Ga>) 6 ͽB@ l "b X D x6 JU>( 8 T 1 67<* T @6 4 đ 8 T t x $ & |
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= X l H p L L L ! 1 L ?< X = Т D L @ L ` L L X L L x L # L 0 ! L & " L L / L ?= h> % L & / L ?> T X h> @ $ L D 4 L ?A d h> B Ԥ ` ' L & L x6 L G?@ T ? B L ?? | ? / L Ga>B T A ̥ * L |
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0 L + L , L 5 L P 3 L d & 4 L 2 L / L Ga>D L @ P 7 L & / L Ga>E @ 6 L D 4 L Ga>G | L @ ͽB 4 "b 9 L 8 L x6 L IU>F @B 1 L 37<H `@ < L d x ? L < P = L x > L : L ; L C L A L & B L @ L @1 ?I \ ? H I p G 4 K N Q h | T @ T R T S $ O P L M I ج H ! J E D F U l/ ?J |
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B Э J p X t W V ! 1 ?K \ B 4 [ _ Į ] \ ^ Y x Z c T a h & b ` / ?L P xC T e $ & / ?M xC d D 4 ?P ȱ P xC B 8 ` g $ f x6 G?O D B ?N D / Ga>Q d H 0 j L i P h $ 1 Ga>R ȱ H m l q $ X o D n p k l u s ȳ & t r / Ga>S d \G p w & / Ga>T \G p v D 4 Ga>V \G Bl "b y p x x6 4<=>U H 4 -=Y F A4 t "a | L ` { x z D 6 ;X <I B -=W pE / 8<Z F X l ~ L } $ 1 -=[ pE h | @ T x ĸ & 1 ?\ ` D L K p Ĺ 8 $ l D X T $ ܺ ! $ \ / ?] |
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U T h Z p H H H h" 1 H Ga>u T U @ H < H \ H | H h H H x H H , H & H H $/ H Ga>v 0U H H H 1 H Ga>w T 0U p H H H H @ H H H H @ H T & H H P/ H Ga>x D T H H 0 H 1 H Ga>y T t H L ` H 8 H $ H H H H H H & ! H H |1 H Ga>z D S | H H H x H H H H , l H @ & " ! |
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H H 1 Ga>{ \S [ p @ ` 8 l $ d $ $ X h"
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| 43 |
T ( (, T0 T4 < T= (> (? (@ ЕD H TI (J K (\ T` Td l Tm (n (o (p t x Ty (z { ( T T T ( ( ( x T ( ( T T X L ( ( ( T ( ( T T X L ( ( ( T ( |
| 44 |
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d T
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| 47 |
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| 48 |
,
T H H H , T T 4 T T H DDhDDDDDDDDxDDDDhT<d @( P MODULE.parameter_0.paramfile.paramfile F &@ F P P MODULE.parameter_0.paramfile \ P MODULE.parameter_0.file_prefix.file_prefix F ^%@ P MODULE.parameter_0.file_prefix 8 P ( MODULE.parameter_0.command.command F ]%@ P MODULE.parameter_0.command P 0 MODULE.parameter_0.sim_type.sim_type F [%@ t P t MODULE.parameter_0.sim_type P 8 MODULE.parameter_0.ensemble.ensemble F Y%@ X P X MODULE.parameter_0.ensemble |
| 49 |
MODULE.parameter_0.run_time.run_time h < MODULE.parameter_0.run_time |
| 50 |
MODULE.parameter_0.target_temp.target_temp t L MODULE.parameter_0.target_temp MODULE.parameter_0.checktemp.checktemp T MODULE.parameter_0.checktemp MODULE.simulation_0.use_pbc.use_pbc ` D MODULE.simulation_0.use_pbc D EPC.RZERO.0.r16 Dt EPC.RZERO.0.r16.q0 TDt@ EPC.RZERO.0.r16.q1 Dt EPC.RZERO.0.r16.q2 Dt EPC.RZERO.0.r16.q3 M t D EPC.RZERO.0 &@ ( Ȩ&@h` X f_stop f_stop f_cpstr f_cpstr & f_iod f_iod TL& D f_ioc f_ioc f90_deallocate5 f90_deallocate5 t f90_trim f90_trim ( f_cpystr f_cpystr & f90_init f90_init `D ( definitions..machdep_init_ definitions..machdep_init_ parameter..handle_args_ parameter..handle_args_ `H 0 parameter..read_params_ parameter..read_params_ simulation..deallocate_simulation_ simulation..deallocate_simulation_ P, init_simulation..nano_build_system_ init_simulation..nano_build_system_ d force_module..init_forcefield_parameters_ force_module..init_forcefield_parameters_ force_module..initialize_forcefield_ force_module..initialize_forcefield_ |\ < velocity..randomize_velocities_ velocity..randomize_velocities_ xyz_io..open_xyz_files_ xyz_io..open_xyz_files_ tT 4 xyz_io..read_initial_config_ xyz_io..read_initial_config_ xyz_io..write_final_config_ xyz_io..write_final_config_ dP < status..init_info_ status..init_info_ status..start_info_ status..start_info_ |h T status..end_info_ status..end_info_ status..error_ status..error_ t status..warning_ status..warning_ ( status..info_ status..info_ dynamics..run_dynamics_ dynamics..run_dynamics_ @ f2kcli..command_argument_count_ f2kcli..command_argument_count_ t f2kcli..get_command_argument_ f2kcli..get_command_argument_ ( @ 8 main main &@ ( 0 Ȩ&@&@ ( Ȩ&@&@ ( 4 Ȩ&@&@ ( h Ȩ&@&@ ( < Ȩ&@&@ ( X Ȩ&@&@ ( d Ȩ&@&@ ( Ȩ&@&@ ( X Ȩ&@&@ ( ` Ȩ&@&@ ( 4 X Ȩ&@&@ ( X Ȩ&@/&@ hD /&@/&@ hD < /&@/&@ hD T /&@/&@ hD X < /&@/&@ hD , T /&@/&@ hD /&@/&@ hD /&@/&@ hD T /&@/&@ hD | /&@/&@ hD P /&@/&@ hD $ /&@/&@ hD /&@/&@ hD ( /&@/&@ hD /&@/&@ hD t /&@/&@ hD H /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@/&@ hD l /&@/&@ hD @ /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@/&@ hD d /&@/&@ hD 8 /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@/&@ hD /&@*&@ # \ *&@*&@ # 0 *&@*&@ # D *&@*&@ # t *&@*&@ # *&@*&@ # *&@*&@ # T t *&@*&@ # ( T *&@ &@ c &@ &@ c &@ &@ c t &@h ` .bss $ .data .text e Intel(R) Fortran Compiler for 32-bit applications, Version 6.0 Build 020426Z : ../src/main.f90 : -Vaxlib -mp -u -axW -ipo -tpp7 -c 0`"@ ptd* P T ? ? (D%@(D%@ d ../src/main.f90 6 8 k T k l(@l(@L F x F 5 08 ,k ,k (@(@ 4 8 j j (@(@ 3 48 i t i d(@d(@D 2 8 Li Li (@ (@ 1 8 f f (@(@| 0 X8 h $, h (@(@ { | T } \ B N H B V B T ~ F l X F / d8 <d < <d h(@h(@ . 8 d 4 p d (@(@X z - X8 \b h \b (@ (@ u v T w ( h(xph |
| 51 |
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| 52 |
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| 53 |
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